<?xml version="1.0" encoding="UTF-8"?><!DOCTYPE article PUBLIC "-//ES//DTD journal article DTD version 5.7.0//EN//XML" "art570.dtd" [<!ENTITY gr1 SYSTEM "gr1" NDATA IMAGE><!ENTITY gr2 SYSTEM "gr2" NDATA IMAGE><!ENTITY fx1 SYSTEM "fx1" NDATA IMAGE><!ENTITY fx2 SYSTEM "fx2" NDATA IMAGE><!ENTITY fx3 SYSTEM "fx3" NDATA IMAGE>]><article xmlns="http://www.elsevier.com/xml/ja/dtd" xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:ce="http://www.elsevier.com/xml/common/dtd" xmlns:sa="http://www.elsevier.com/xml/common/struct-aff/dtd" xmlns:sb="http://www.elsevier.com/xml/common/struct-bib/dtd" docsubtype="sco" xml:lang="en"><item-info><jid>PLB</jid><aid>140538</aid><ce:article-number>140538</ce:article-number><ce:pii>S0370-2693(26)00391-6</ce:pii><ce:doi>10.1016/j.physletb.2026.140538</ce:doi><ce:copyright type="unknown" year="2026"/></item-info><ce:floats><ce:figure id="fig0001"><ce:label>Fig. 1</ce:label><ce:caption id="cap0001"><ce:simple-para id="sp0001">Workflow of the quantum–classical algorithm for solving the response function and bound-state spectrum. The circuit implements a standard Hadamard test <ce:cross-ref id="crf0001" refid="bib0086">[86]</ce:cross-ref>, with the Hadamard gate denoted by <ce:underline>H</ce:underline>. The gate <mml:math altimg="si1.svg"><mml:mi mathvariant="script">V</mml:mi></mml:math> is set to the identity for Re[⟨Ω|<ce:italic>T<ce:inf>k</ce:inf></ce:italic>(<ce:italic>H</ce:italic>′)|Ω⟩] and to <ce:italic>S</ce:italic>† for Im[⟨Ω|<ce:italic>T<ce:inf>k</ce:inf></ce:italic>(<ce:italic>H</ce:italic>′)|Ω⟩].</ce:simple-para></ce:caption><ce:alt-text id="at0001" role="short">Fig. 1 dummy alt text</ce:alt-text><ce:link id="celink0001" locator="gr1" xlink:type="simple" xlink:role="http://data.elsevier.com/vocabulary/ElsevierContentTypes/23.4" xlink:href="pii:S0370269326003916/gr1"/></ce:figure><ce:figure id="fig0002"><ce:label>Fig. 2</ce:label><ce:caption id="cap0002"><ce:simple-para id="sp0002">(a) Excitation spectrum of <ce:sup>19</ce:sup>O. The total angular momentum and parity are shown with each state. The results from the FCI calculations on classical computers and from the experiment <ce:cross-ref id="crf0002" refid="bib0090">[90]</ce:cross-ref> are also shown for comparison. (b) The LI as a function of <ce:italic>σ<ce:inf>R</ce:inf></ce:italic> of <ce:sup>19</ce:sup>O. (c) Response function <ce:italic>R</ce:italic>(<ce:italic>e</ce:italic>) of <ce:sup>19</ce:sup>O as a function of the excitation energy <ce:italic>e</ce:italic>. See text for more details.</ce:simple-para></ce:caption><ce:alt-text id="at0002" role="short">Fig. 2 dummy alt text</ce:alt-text><ce:link id="celink0002" locator="gr2" xlink:type="simple" xlink:role="http://data.elsevier.com/vocabulary/ElsevierContentTypes/23.4" xlink:href="pii:S0370269326003916/gr2"/></ce:figure><ce:figure id="fig0003"><ce:label>Algorithm 1</ce:label><ce:caption id="cap0003"><ce:simple-para id="sp0003">Prescan for spectral information.</ce:simple-para></ce:caption><ce:alt-text id="at0003" role="short">Algorithm 1 dummy alt text</ce:alt-text><ce:link id="celink0003" locator="fx1" xlink:type="simple" xlink:role="http://data.elsevier.com/vocabulary/ElsevierContentTypes/23.4" xlink:href="pii:S0370269326003916/fx1"/></ce:figure><ce:figure id="fig0004"><ce:label>Algorithm 2</ce:label><ce:caption id="cap0004"><ce:simple-para id="sp0004">Solving {<ce:italic>R<ce:inf>n</ce:inf></ce:italic>}.</ce:simple-para></ce:caption><ce:alt-text id="at0004" role="short">Algorithm 2 dummy alt text</ce:alt-text><ce:link id="celink0004" locator="fx2" xlink:type="simple" xlink:role="http://data.elsevier.com/vocabulary/ElsevierContentTypes/23.4" xlink:href="pii:S0370269326003916/fx2"/></ce:figure><ce:figure id="fig0005"><ce:label>Algorithm 3</ce:label><ce:caption id="cap0005"><ce:simple-para id="sp0005">Solving <ce:italic>R</ce:italic>(<ce:italic>e</ce:italic>).</ce:simple-para></ce:caption><ce:alt-text id="at0005" role="short">Algorithm 3 dummy alt text</ce:alt-text><ce:link id="celink0005" locator="fx3" xlink:type="simple" xlink:role="http://data.elsevier.com/vocabulary/ElsevierContentTypes/23.4" xlink:href="pii:S0370269326003916/fx3"/></ce:figure></ce:floats><head><ce:dochead id="dh1"><ce:textfn id="textfn0001">Letter</ce:textfn></ce:dochead><ce:title id="ct0001">Quantum-classical computational framework for many-fermion response and structure</ce:title><ce:short-title id="stitle0010">Quantum-classical computational framework for many-fermion response and structure</ce:short-title><ce:author-group id="aut0001"><ce:author id="au0001" orcid="0000-0002-8907-553X" author-id="S0370269326003916-56ed51fe76710050a7765d7476863f1f"><ce:given-name>Weijie</ce:given-name><ce:surname>Du</ce:surname><ce:cross-ref id="crf0003" refid="aff0001"><ce:sup>a</ce:sup></ce:cross-ref><ce:cross-ref id="crf0004" refid="aff0002"><ce:sup>b</ce:sup></ce:cross-ref></ce:author><ce:author id="au0002" orcid="0000-0001-9236-7544" author-id="S0370269326003916-0e755de11047678af9528feda68ef956"><ce:given-name>Yangguang</ce:given-name><ce:surname>Yang</ce:surname><ce:cross-ref id="crf0005" refid="aff0001"><ce:sup>a</ce:sup></ce:cross-ref></ce:author><ce:author id="au0003" author-id="S0370269326003916-fd97b5558a868bb74fab3fe7516fd02c" orcid="0000-0001-5652-1516"><ce:given-name>Zixin</ce:given-name><ce:surname>Liu</ce:surname><ce:cross-ref id="crf0006" refid="cor0001"><ce:sup>⁎</ce:sup></ce:cross-ref><ce:cross-ref id="crf0007" refid="aff0003"><ce:sup>c</ce:sup></ce:cross-ref><ce:cross-ref id="crf0008" refid="aff0001"><ce:sup>a</ce:sup></ce:cross-ref><ce:e-address type="email" xlink:href="mailto:zixinliu@gdlhz.ac.cn" id="ead0001">zixinliu@gdlhz.ac.cn</ce:e-address></ce:author><ce:author id="au0004" orcid="0000-0001-7172-7539" author-id="S0370269326003916-16b8f728ae6688ecf847153cbee3d594"><ce:given-name>Chao</ce:given-name><ce:surname>Yang</ce:surname><ce:cross-ref id="crf0009" refid="aff0004"><ce:sup>d</ce:sup></ce:cross-ref></ce:author><ce:author id="au0005" orcid="0000-0002-3500-4314" author-id="S0370269326003916-31cb66554d73d37e80664396312454f1"><ce:given-name>James P.</ce:given-name><ce:surname>Vary</ce:surname><ce:cross-ref id="crf0010" refid="aff0002"><ce:sup>b</ce:sup></ce:cross-ref></ce:author><ce:affiliation id="aff0001" affiliation-id="S0370269326003916-3e62cfa23cf6fcb677ad636cbe464a48"><ce:label>a</ce:label><ce:textfn id="textfn0002">Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou, 730000, China</ce:textfn><sa:affiliation><sa:organization>Institute of Modern Physics, Chinese Academy of Sciences</sa:organization> <sa:city>Lanzhou</sa:city> <sa:postal-code>730000</sa:postal-code> <sa:country iso3166-1-alpha-3="CHN">China</sa:country></sa:affiliation><ce:source-text id="st0001">Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou, 730000, China</ce:source-text></ce:affiliation><ce:affiliation id="aff0002" affiliation-id="S0370269326003916-116734d16d8d10fde2b31164c14c4720"><ce:label>b</ce:label><ce:textfn id="textfn0003">Department of Physics and Astronomy, Iowa State University, Ames, Iowa, 50010, USA</ce:textfn><sa:affiliation><sa:organization>Department of Physics and Astronomy, Iowa State University</sa:organization> <sa:city>Ames</sa:city> <sa:state>Iowa</sa:state> <sa:postal-code>50010</sa:postal-code> <sa:country iso3166-1-alpha-3="USA">USA</sa:country></sa:affiliation><ce:source-text id="st0002">Department of Physics and Astronomy, Iowa State University, Ames, Iowa, 50010, USA</ce:source-text></ce:affiliation><ce:affiliation id="aff0003" affiliation-id="S0370269326003916-948e3d3c8e98836ef34b380f316e94bc"><ce:label>c</ce:label><ce:textfn id="textfn0004">Advanced Energy Science and Technology, Guangdong Laboratory, Huizhou, 516000, China</ce:textfn><sa:affiliation><sa:organization>Advanced Energy Science and Technology, Guangdong Laboratory</sa:organization> <sa:city>Huizhou</sa:city> <sa:postal-code>516000</sa:postal-code> <sa:country iso3166-1-alpha-3="CHN">China</sa:country></sa:affiliation><ce:source-text id="st0003">Advanced Energy Science and Technology, Guangdong Laboratory, Huizhou, 516000, China</ce:source-text></ce:affiliation><ce:affiliation id="aff0004" affiliation-id="S0370269326003916-a70da31f2567e76fa9b75e79b5091d8e"><ce:label>d</ce:label><ce:textfn id="textfn0005">Applied Mathematics and Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, California, 54720, USA</ce:textfn><sa:affiliation><sa:organization>Applied Mathematics and Computational Research Division, Lawrence Berkeley National Laboratory</sa:organization> <sa:city>Berkeley</sa:city> <sa:state>California</sa:state> <sa:postal-code>54720</sa:postal-code> <sa:country iso3166-1-alpha-3="USA">USA</sa:country></sa:affiliation><ce:source-text id="st0004">Applied Mathematics and Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, California, 54720, USA</ce:source-text></ce:affiliation><ce:correspondence id="cor0001"><ce:label>⁎</ce:label><ce:text id="cor1">Corresponding author.</ce:text></ce:correspondence></ce:author-group><ce:miscellaneous id="m0001">Editor: Baha Balantekin</ce:miscellaneous><ce:abstract id="abs0001" class="author"><ce:section-title id="sctt0001">Abstract</ce:section-title><ce:abstract-sec id="abssec0001"><ce:simple-para id="sp0006">Response functions are key observables for probing the structure and dynamics of many-body systems. We present and demonstrate a quantum-classical computational framework for computing response functions of general many-fermion systems that also provides the full bound-state spectrum. The framework employs the Lorentz integral transform and a recently developed Hamiltonian input scheme that enables practical and scalable circuit constructions for general many-fermion Hamiltonians. Within this framework, we evaluate the Lorentz integral and propose three protocols to extract response functions and bound-state structural information. We apply the method to <ce:sup>19</ce:sup>O with realistic internucleon interactions, computing both the bound-state spectrum and the response function. This demonstration indicates opportunities for exploring the structure and dynamics of a broad class of many-body systems across diverse fields.</ce:simple-para></ce:abstract-sec></ce:abstract><ce:keywords id="keys0001" class="keyword"><ce:section-title id="sctt0002">Keywords</ce:section-title><ce:keyword id="key0001"><ce:text id="txt0001">Quantum computing</ce:text></ce:keyword><ce:keyword id="key0002"><ce:text id="txt0002">Response functions</ce:text></ce:keyword><ce:keyword id="key0003"><ce:text id="txt0003">Bound-state spectra</ce:text></ce:keyword><ce:keyword id="key0004"><ce:text id="txt0004">Lorentz integral transform</ce:text></ce:keyword><ce:keyword id="key0005"><ce:text id="txt0005">Many-fermion Hamiltonian input scheme</ce:text></ce:keyword></ce:keywords><ce:data-availability id="da01"><ce:section-title id="sctt0003">Data availability</ce:section-title><ce:para id="p0001">Data will be made available on request.</ce:para></ce:data-availability></head><body><ce:sections><ce:section id="sec0001" view="all" role="introduction"><ce:label>1</ce:label><ce:section-title id="sctt0004">Introduction</ce:section-title><ce:para id="p0002">The structure and dynamics of quantum many-body systems are fundamental to understanding strongly interacting systems across quantum chemistry <ce:cross-refs id="crfs0001" refid="bib0001 bib0002">[1,2]</ce:cross-refs>, nuclear physics <ce:cross-refs id="crfs0002" refid="bib0003 bib0004 bib0005 bib0006 bib0007">[3–7]</ce:cross-refs>, high-energy physics <ce:cross-refs id="crfs0003" refid="bib0008 bib0009">[8,9]</ce:cross-refs>, and condensed matter physics <ce:cross-refs id="crfs0004" refid="bib0010 bib0011">[10,11]</ce:cross-refs>. Among the key observables are response functions <ce:cross-refs id="crfs0005" refid="bib0012 bib0013 bib0014">[12–14]</ce:cross-refs>, which encode rich information about both the dynamical and structural properties of these systems. Response functions define cross sections in scattering experiments <ce:cross-refs id="crfs0006" refid="bib0015 bib0016 bib0017 bib0018 bib0019 bib0020 bib0021">[15–21]</ce:cross-refs> involving photons, electrons, neutrinos and nucleons. They also reveal essential structural information about the underlying quantum systems.</ce:para><ce:para id="p0003">While response functions are important and useful quantities, their calculation is challenging. Such computations require access to both bound and continuum states, which obey different boundary conditions and therefore demand distinct numerical techniques, making a unified and consistent treatment difficult. Moreover, the number of many-body states grows exponentially with both the single-particle (SP) basis size and the particle number. This poses a significant challenge for first-principles evaluations of response functions in many-body systems on classical computers.</ce:para><ce:para id="p0004">Quantum computers hold the promise for addressing quantum many-body problems that are intractable on classical computers <ce:cross-ref id="crf0011" refid="bib0022">[22]</ce:cross-ref>. Research efforts have been devoted to solving eigenvalue problems, including the variational <ce:cross-refs id="crfs0007" refid="bib0023 bib0024 bib0025 bib0026">[23–26]</ce:cross-refs>, subspace-expansion-based <ce:cross-refs id="crfs0008" refid="bib0027 bib0028 bib0029 bib0030 bib0031 bib0032 bib0033 bib0034 bib0035">[27–35]</ce:cross-refs>, and imaginary-time-evolution <ce:cross-refs id="crfs0009" refid="bib0036 bib0037">[36,37]</ce:cross-refs> quantum eigensolvers. Meanwhile, quantum algorithms have also been proposed for simulating real-time evolution in many-body systems, such as the Trotter-based methods <ce:cross-refs id="crfs0010" refid="bib0038 bib0039">[38,39]</ce:cross-refs>, truncated Taylor series <ce:cross-ref id="crf0012" refid="bib0040">[40]</ce:cross-ref>, truncated Dyson series <ce:cross-ref id="crf0013" refid="bib0041">[41]</ce:cross-ref>, qubitization <ce:cross-ref id="crf0014" refid="bib0042">[42]</ce:cross-ref>, time-dependent qubitization <ce:cross-ref id="crf0015" refid="bib0043">[43]</ce:cross-ref>, qDrift <ce:cross-ref id="crf0016" refid="bib0044">[44]</ce:cross-ref>, time-dependent qDrift <ce:cross-ref id="crf0017" refid="bib0045">[45]</ce:cross-ref>, and Magnus-expansion-based method <ce:cross-refs id="crfs0011" refid="bib0046 bib0047">[46,47]</ce:cross-refs>. Few approaches <ce:cross-refs id="crfs0012" refid="bib0048 bib0049 bib0050 bib0051 bib0052 bib0053 bib0054">[48–54]</ce:cross-refs> have been proposed for quantum computing response functions that relate directly to reaction cross sections of realistic, strongly interacting systems; existing works are mainly based on time-evolution-based methods and have been demonstrated only for toy models, highlighting the need for practical and scalable algorithms applicable to response functions of realistic many-body systems.</ce:para><ce:para id="p0005">In this work, we develop a quantum-classical framework for computing nuclear response functions, which also provides bound-state structural information. Our approach is based on the Lorentz integral transform (LIT) <ce:cross-refs id="crfs0013" refid="bib0055 bib0056">[55,56]</ce:cross-refs>, which has been widely applied to scattering processes such as nuclear photoabsorption and electroweak reactions <ce:cross-refs id="crfs0014" refid="bib0015 bib0016 bib0017 bib0018 bib0019">[15–19]</ce:cross-refs> on classical computers. Within the LIT framework, the response function is mapped to a Lorentz integral (LI) via convolution with a smooth kernel. The LI can be evaluated by solving inhomogeneous many-body Schrödinger equations using only bound-state techniques. The response function is then extracted via the integral inversion.</ce:para><ce:para id="p0006">Although conceptually powerful, the LIT approach is demanding in computational resources as it necessitates treating many-body problems on classical computers. We present a hybrid scheme that efficiently evaluates the LI for many-body systems using the Chebyshev polynomial expansion (CPE) <ce:cross-refs id="crfs0015" refid="bib0057 bib0058">[57,58]</ce:cross-refs>, where the evaluation of the LI reduces to quantum computation of a limited set of Chebyshev moments (CMs) determined by the many-body Hamiltonian and the system-probe interaction. We further propose protocols for computing the response functions and full bound-state spectra of many-body systems.</ce:para><ce:para id="p0007">Our framework also employs a recently developed Hamiltonian input scheme introduced in our previous work <ce:cross-ref id="crf0018" refid="bib0059">[59]</ce:cross-ref>, which enables practical and scalable circuit constructions for general second-quantized many-fermion Hamiltonians. Based on the ideas of Boolean masking and discrete-time quantum walks <ce:cross-refs id="crfs0016" refid="bib0060 bib0061 bib0062 bib0063">[60–63]</ce:cross-refs>, this efficient input scheme avoids the expensive compilation of second-quantized Hamiltonians for many-fermion systems and the intricate oracle constructions required by standard input methods (e.g., Jordan–Wigner <ce:cross-refs id="crfs0017" refid="bib0064 bib0065">[64,65]</ce:cross-refs> or Bravyi–Kitaev encodings <ce:cross-refs id="crfs0018" refid="bib0066 bib0067">[66,67]</ce:cross-refs> implemented with LCU <ce:cross-refs id="crfs0019" refid="bib0040 bib0068 bib0069">[40,68,69]</ce:cross-refs>). By employing quantum signal processing <ce:cross-refs id="crfs0020" refid="bib0070 bib0071">[70,71]</ce:cross-refs>, our input scheme enables efficient evaluation of the CMs and, consequently, the LI.</ce:para><ce:para id="p0008">Our hybrid framework establishes a practical and scalable approach for computing response functions of general many-fermion systems using future fault-tolerant quantum hardware. Moreover, it enables access to complete bound-state spectra of many-fermion systems, surpassing the above-mentioned quantum eigensolvers that target only a limited set of eigenenergies (e.g., ground-state energies via variational quantum eigensolver algorithms <ce:cross-ref id="crf0019" refid="bib0025">[25]</ce:cross-ref>). To the best of our knowledge, approaches that enable combined response-function and structural studies of realistic many-fermion systems on quantum computers remain largely unexplored.</ce:para><ce:para id="p0009">We demonstrate the framework by computing the full bound-state spectrum and response function of <ce:sup>19</ce:sup>O using a realistic strong-force interaction <ce:cross-ref id="crf0020" refid="bib0072">[72]</ce:cross-ref> developed from fundamental theories <ce:cross-refs id="crfs0021" refid="bib0073 bib0074 bib0075">[73–75]</ce:cross-refs>. Our framework is directly applicable to other strongly interacting systems, such as those in hadronic structure and dynamics (e.g., within the BLFQ approach <ce:cross-refs id="crfs0022" refid="bib0076 bib0077 bib0078">[76–78]</ce:cross-refs>), when combined with consistent input scheme for many-boson Hamiltonians <ce:cross-ref id="crf0021" refid="bib0079">[79]</ce:cross-ref>.</ce:para></ce:section><ce:section id="sec0002" view="all" role="theory"><ce:label>2</ce:label><ce:section-title id="sctt0005">Theory</ce:section-title><ce:para id="p0010">The second-quantized Hamiltonian of a general many-fermion system is<ce:display><ce:formula id="eq0001"><ce:label>(1)</ce:label><mml:math altimg="si2.svg"><mml:mrow><mml:mi>H</mml:mi><mml:mo linebreak="goodbreak">=</mml:mo><mml:munder><mml:mo>∑</mml:mo><mml:mi>j</mml:mi></mml:munder><mml:mrow><mml:mo>〈</mml:mo></mml:mrow><mml:msub><mml:mi>Q</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mrow><mml:mo>|</mml:mo><mml:mi>H</mml:mi><mml:mo>|</mml:mo></mml:mrow><mml:msub><mml:mi>P</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mrow><mml:mo>〉</mml:mo></mml:mrow><mml:msubsup><mml:mi>b</mml:mi><mml:msub><mml:mi>Q</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mo>†</mml:mo></mml:msubsup><mml:msub><mml:mi>b</mml:mi><mml:msub><mml:mi>P</mml:mi><mml:mi>j</mml:mi></mml:msub></mml:msub><mml:mo>,</mml:mo></mml:mrow></mml:math></ce:formula></ce:display>where we index each monomial by <mml:math altimg="si3.svg"><mml:mrow><mml:mi>j</mml:mi><mml:mo>∈</mml:mo><mml:mo>[</mml:mo><mml:mn>0</mml:mn><mml:mo>,</mml:mo><mml:mi mathvariant="script">D</mml:mi><mml:mo linebreak="goodbreak">−</mml:mo><mml:mn>1</mml:mn><mml:mo>]</mml:mo></mml:mrow></mml:math>. We denote <mml:math altimg="si4.svg"><mml:mrow><mml:msub><mml:mi>Q</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mo>↦</mml:mo><mml:mrow><mml:mo>{</mml:mo><mml:msub><mml:mi>p</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mo>,</mml:mo><mml:msub><mml:mi>q</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mo>,</mml:mo><mml:mo>…</mml:mo><mml:msub><mml:mi>r</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mo>}</mml:mo></mml:mrow></mml:mrow></mml:math> and <mml:math altimg="si5.svg"><mml:mrow><mml:msub><mml:mi>P</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mo>↦</mml:mo><mml:mrow><mml:mo>{</mml:mo><mml:msub><mml:mi>u</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mo>,</mml:mo><mml:msub><mml:mi>v</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mo>,</mml:mo><mml:mo>…</mml:mo><mml:mo>,</mml:mo><mml:msub><mml:mi>w</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mo>}</mml:mo></mml:mrow></mml:mrow></mml:math>, where we order the SP bases as <ce:italic>p<ce:inf>j</ce:inf></ce:italic> &#x003C; <ce:italic>q<ce:inf>j</ce:inf></ce:italic> &#x003C; ⋅⋅⋅ &#x003C; <ce:italic>r<ce:inf>j</ce:inf></ce:italic> and <ce:italic>u<ce:inf>j</ce:inf></ce:italic> &#x003C; <ce:italic>v<ce:inf>j</ce:inf></ce:italic> &#x003C; ⋅⋅⋅ &#x003C; <ce:italic>w<ce:inf>j</ce:inf></ce:italic>. The <ce:italic>few-body matrix element</ce:italic> is <mml:math altimg="si6.svg"><mml:mrow><mml:mrow><mml:mo>〈</mml:mo></mml:mrow><mml:msub><mml:mi>Q</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mrow><mml:mo>|</mml:mo><mml:mi>H</mml:mi><mml:mo>|</mml:mo></mml:mrow><mml:msub><mml:mi>P</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mrow><mml:mo>〉</mml:mo><mml:mo>≡</mml:mo><mml:mo>〈</mml:mo></mml:mrow><mml:msub><mml:mi>p</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mo>,</mml:mo><mml:msub><mml:mi>q</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mo>,</mml:mo><mml:mo>…</mml:mo><mml:msub><mml:mi>r</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mrow><mml:mo>|</mml:mo><mml:mi>H</mml:mi><mml:mo>|</mml:mo></mml:mrow><mml:msub><mml:mi>u</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mo>,</mml:mo><mml:msub><mml:mi>v</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mo>,</mml:mo><mml:mo>…</mml:mo><mml:msub><mml:mi>w</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mrow><mml:mo>〉</mml:mo></mml:mrow></mml:mrow></mml:math>. We have <mml:math altimg="si7.svg"><mml:mrow><mml:msubsup><mml:mi>b</mml:mi><mml:msub><mml:mi>Q</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mo>†</mml:mo></mml:msubsup><mml:mo>≡</mml:mo><mml:msubsup><mml:mi>a</mml:mi><mml:msub><mml:mi>p</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mo>†</mml:mo></mml:msubsup><mml:msubsup><mml:mi>a</mml:mi><mml:msub><mml:mi>q</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mo>†</mml:mo></mml:msubsup><mml:mo>⋯</mml:mo><mml:msubsup><mml:mi>a</mml:mi><mml:msub><mml:mi>r</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mo>†</mml:mo></mml:msubsup></mml:mrow></mml:math> and <mml:math altimg="si8.svg"><mml:mrow><mml:msub><mml:mi>b</mml:mi><mml:msub><mml:mi>P</mml:mi><mml:mi>j</mml:mi></mml:msub></mml:msub><mml:mo>≡</mml:mo><mml:msub><mml:mi>a</mml:mi><mml:msub><mml:mi>w</mml:mi><mml:mi>j</mml:mi></mml:msub></mml:msub><mml:mo>⋯</mml:mo><mml:msub><mml:mi>a</mml:mi><mml:msub><mml:mi>v</mml:mi><mml:mi>j</mml:mi></mml:msub></mml:msub><mml:msub><mml:mi>a</mml:mi><mml:msub><mml:mi>u</mml:mi><mml:mi>j</mml:mi></mml:msub></mml:msub></mml:mrow></mml:math>. The anticommutation relations hold for the fermion operators, i.e., <mml:math altimg="si9.svg"><mml:mrow><mml:mrow><mml:mo>{</mml:mo><mml:msub><mml:mi>a</mml:mi><mml:mi>p</mml:mi></mml:msub><mml:mo>,</mml:mo><mml:msubsup><mml:mi>a</mml:mi><mml:mi>q</mml:mi><mml:mo>†</mml:mo></mml:msubsup><mml:mo>}</mml:mo></mml:mrow><mml:mo linebreak="goodbreak">=</mml:mo><mml:msub><mml:mi>δ</mml:mi><mml:mrow><mml:mi>p</mml:mi><mml:mo>,</mml:mo><mml:mi>q</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math>, <mml:math altimg="si10.svg"><mml:mrow><mml:mrow><mml:mo>{</mml:mo><mml:msub><mml:mi>a</mml:mi><mml:mi>p</mml:mi></mml:msub><mml:mo>,</mml:mo><mml:msub><mml:mi>a</mml:mi><mml:mi>q</mml:mi></mml:msub><mml:mo>}</mml:mo></mml:mrow><mml:mo linebreak="goodbreak">=</mml:mo><mml:mrow><mml:mo>{</mml:mo><mml:msubsup><mml:mi>a</mml:mi><mml:mi>p</mml:mi><mml:mo>†</mml:mo></mml:msubsup><mml:mo>,</mml:mo><mml:msubsup><mml:mi>a</mml:mi><mml:mi>q</mml:mi><mml:mo>†</mml:mo></mml:msubsup><mml:mo>}</mml:mo></mml:mrow><mml:mo linebreak="goodbreak">=</mml:mo><mml:mn>0</mml:mn></mml:mrow></mml:math>. The fermion operators act on the occupation modes of SP basis “<ce:italic>p</ce:italic>” as <mml:math altimg="si11.svg"><mml:mrow><mml:msubsup><mml:mi>a</mml:mi><mml:mi>p</mml:mi><mml:mo>†</mml:mo></mml:msubsup><mml:msub><mml:mrow><mml:mo>|</mml:mo><mml:mn>0</mml:mn><mml:mo>〉</mml:mo></mml:mrow><mml:mi>p</mml:mi></mml:msub><mml:mo linebreak="goodbreak">=</mml:mo><mml:msub><mml:mrow><mml:mo>|</mml:mo><mml:mn>1</mml:mn><mml:mo>〉</mml:mo></mml:mrow><mml:mi>p</mml:mi></mml:msub></mml:mrow></mml:math>, <mml:math altimg="si12.svg"><mml:mrow><mml:msub><mml:mi>a</mml:mi><mml:mi>p</mml:mi></mml:msub><mml:msub><mml:mrow><mml:mo>|</mml:mo><mml:mn>1</mml:mn><mml:mo>〉</mml:mo></mml:mrow><mml:mi>p</mml:mi></mml:msub><mml:mo linebreak="goodbreak">=</mml:mo><mml:msub><mml:mrow><mml:mo>|</mml:mo><mml:mn>0</mml:mn><mml:mo>〉</mml:mo></mml:mrow><mml:mi>p</mml:mi></mml:msub></mml:mrow></mml:math>, and <mml:math altimg="si13.svg"><mml:mrow><mml:msubsup><mml:mi>a</mml:mi><mml:mi>p</mml:mi><mml:mo>†</mml:mo></mml:msubsup><mml:msub><mml:mrow><mml:mo>|</mml:mo><mml:mn>1</mml:mn><mml:mo>〉</mml:mo></mml:mrow><mml:mi>p</mml:mi></mml:msub><mml:mo linebreak="goodbreak">=</mml:mo><mml:msub><mml:mi>a</mml:mi><mml:mi>p</mml:mi></mml:msub><mml:msub><mml:mrow><mml:mo>|</mml:mo><mml:mn>0</mml:mn><mml:mo>〉</mml:mo></mml:mrow><mml:mi>p</mml:mi></mml:msub><mml:mo linebreak="goodbreak">=</mml:mo><mml:mn>0</mml:mn></mml:mrow></mml:math>.</ce:para><ce:para id="p0011">The Schrödinger equation of the many-body system reads<ce:display><ce:formula id="eq0002"><ce:label>(2)</ce:label><mml:math altimg="si14.svg"><mml:mrow><mml:mo>(</mml:mo><mml:mi>H</mml:mi><mml:mo linebreak="goodbreak">−</mml:mo><mml:msub><mml:mi>E</mml:mi><mml:mi>n</mml:mi></mml:msub><mml:mo>)</mml:mo><mml:mrow><mml:mrow><mml:mo>|</mml:mo></mml:mrow><mml:msub><mml:mstyle mathvariant="normal"><mml:mi>Ψ</mml:mi></mml:mstyle><mml:mi>n</mml:mi></mml:msub><mml:mrow><mml:mo>〉</mml:mo></mml:mrow></mml:mrow><mml:mo linebreak="goodbreak">=</mml:mo><mml:mn>0</mml:mn><mml:mo>,</mml:mo></mml:mrow></mml:math></ce:formula></ce:display>where <mml:math altimg="si15.svg"><mml:mrow><mml:mrow><mml:mo stretchy="false">|</mml:mo></mml:mrow><mml:msub><mml:mstyle mathvariant="normal"><mml:mi>Ψ</mml:mi></mml:mstyle><mml:mi>n</mml:mi></mml:msub><mml:mrow><mml:mo>〉</mml:mo></mml:mrow></mml:mrow></mml:math> and <ce:italic>E<ce:inf>n</ce:inf></ce:italic> (with <mml:math altimg="si16.svg"><mml:mrow><mml:mi>n</mml:mi><mml:mo linebreak="goodbreak">=</mml:mo><mml:mn>0</mml:mn><mml:mo>,</mml:mo><mml:mn>1</mml:mn><mml:mo>,</mml:mo><mml:mn>2</mml:mn><mml:mo>,</mml:mo><mml:mo>…</mml:mo></mml:mrow></mml:math>) denote the eigenstate and corresponding eigenenergy, respectively.</ce:para><ce:para id="p0012">The response function <ce:italic>R</ce:italic>(<ce:italic>E</ce:italic>) describes the system’s response to an external perturbative probe that transfers energy <ce:italic>E</ce:italic> to it. <ce:italic>R</ce:italic>(<ce:italic>E</ce:italic>) admits the form <ce:cross-ref id="crf0022" refid="bib0056">[56]</ce:cross-ref><ce:display><ce:formula id="eq0003"><ce:label>(3)</ce:label><mml:math altimg="si17.svg"><mml:mrow><mml:mrow><mml:mi>R</mml:mi><mml:mrow><mml:mo>(</mml:mo><mml:mi>E</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mo linebreak="badbreak">=</mml:mo><mml:mrow><mml:mo>∑</mml:mo><mml:mspace width="-0.16em"/><mml:mspace width="-0.16em"/><mml:mspace width="-0.16em"/><mml:mspace width="-0.16em"/><mml:mspace width="-0.16em"/><mml:mspace width="-0.16em"/><mml:mo>∫</mml:mo></mml:mrow><mml:mi>d</mml:mi><mml:mi>n</mml:mi><mml:mo>〈</mml:mo></mml:mrow><mml:msub><mml:mstyle mathvariant="normal"><mml:mi>Ψ</mml:mi></mml:mstyle><mml:mn>0</mml:mn></mml:msub><mml:mrow><mml:mo>|</mml:mo></mml:mrow><mml:msup><mml:mi>V</mml:mi><mml:mo>†</mml:mo></mml:msup><mml:mrow><mml:mo>|</mml:mo></mml:mrow><mml:msub><mml:mstyle mathvariant="normal"><mml:mi>Ψ</mml:mi></mml:mstyle><mml:mi>n</mml:mi></mml:msub><mml:mrow><mml:mo>〉</mml:mo><mml:mo>〈</mml:mo></mml:mrow><mml:msub><mml:mstyle mathvariant="normal"><mml:mi>Ψ</mml:mi></mml:mstyle><mml:mi>n</mml:mi></mml:msub><mml:mrow><mml:mo>|</mml:mo><mml:mi>V</mml:mi><mml:mo>|</mml:mo></mml:mrow><mml:msub><mml:mstyle mathvariant="normal"><mml:mi>Ψ</mml:mi></mml:mstyle><mml:mn>0</mml:mn></mml:msub><mml:mrow><mml:mo>〉</mml:mo><mml:mi>δ</mml:mi></mml:mrow><mml:mrow><mml:mo>(</mml:mo><mml:msub><mml:mi>E</mml:mi><mml:mi>n</mml:mi></mml:msub><mml:mo linebreak="badbreak">−</mml:mo><mml:mi>E</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mo>,</mml:mo></mml:mrow></mml:math></ce:formula></ce:display>with <ce:italic>V</ce:italic> denoting the system-probe interaction operator. Combined with the factor that describes the kinematics, <ce:italic>R</ce:italic>(<ce:italic>E</ce:italic>) produces the reaction cross section. For clarity, we refer <mml:math altimg="si18.svg"><mml:mrow><mml:mrow><mml:mo>|</mml:mo><mml:mstyle mathvariant="normal"><mml:mi>Ω</mml:mi></mml:mstyle><mml:mo>〉</mml:mo></mml:mrow><mml:mo linebreak="goodbreak">=</mml:mo><mml:mi>V</mml:mi><mml:mrow><mml:mrow><mml:mo>|</mml:mo></mml:mrow><mml:msub><mml:mstyle mathvariant="normal"><mml:mi>Ψ</mml:mi></mml:mstyle><mml:mn>0</mml:mn></mml:msub><mml:mrow><mml:mo>〉</mml:mo></mml:mrow></mml:mrow></mml:mrow></mml:math> as the “source state”.</ce:para><ce:para id="p0013">While <ce:italic>R</ce:italic>(<ce:italic>E</ce:italic>) is a useful quantity, its first-principles calculations for many-body systems is generally challenging. Two major difficulties arise: (1) <ce:italic>R</ce:italic>(<ce:italic>E</ce:italic>) depends on a large number of bound and continuum states <mml:math altimg="si19.svg"><mml:mrow><mml:mo>{</mml:mo><mml:mrow><mml:mrow><mml:mo>|</mml:mo></mml:mrow><mml:msub><mml:mstyle mathvariant="normal"><mml:mi>Ψ</mml:mi></mml:mstyle><mml:mi>n</mml:mi></mml:msub><mml:mrow><mml:mo>〉</mml:mo></mml:mrow></mml:mrow><mml:mo>}</mml:mo></mml:mrow></mml:math> subject to different boundary conditions, making their unified and consistent treatment computationally difficult; and (2) first-principles calculations for quantum many-body systems are computationally demanding on classical computers.</ce:para><ce:para id="p0014">We address the first difficulty by utilizing the LIT <ce:cross-ref id="crf0023" refid="bib0056">[56]</ce:cross-ref> method, which presents a practical approach to consistently treating the bound and continuum states in solving <ce:italic>R</ce:italic>(<ce:italic>E</ce:italic>). In particular, one considers an integral transform<ce:display><ce:formula id="eq0004"><ce:label>(4)</ce:label><mml:math altimg="si20.svg"><mml:mrow><mml:mi mathvariant="script">L</mml:mi><mml:mo>(</mml:mo><mml:mi>σ</mml:mi><mml:mo>)</mml:mo><mml:mo>=</mml:mo><mml:mrow><mml:mo>∑</mml:mo><mml:mspace width="-0.16em"/><mml:mspace width="-0.16em"/><mml:mspace width="-0.16em"/><mml:mspace width="-0.16em"/><mml:mspace width="-0.16em"/><mml:mspace width="-0.16em"/><mml:mo>∫</mml:mo></mml:mrow><mml:mi>K</mml:mi><mml:mo>(</mml:mo><mml:mi>σ</mml:mi><mml:mo>,</mml:mo><mml:mi>E</mml:mi><mml:mo>)</mml:mo><mml:mi>R</mml:mi><mml:mo>(</mml:mo><mml:mi>E</mml:mi><mml:mo>)</mml:mo><mml:mi>d</mml:mi><mml:mi>E</mml:mi><mml:mo>.</mml:mo></mml:mrow></mml:math></ce:formula></ce:display>We take <ce:italic>K</ce:italic>(<ce:italic>σ, E</ce:italic>) to be the Lorentzian kernel <mml:math altimg="si21.svg"><mml:mrow><mml:mo stretchy="true">[</mml:mo><mml:mrow><mml:mo>(</mml:mo><mml:msup><mml:mi>σ</mml:mi><mml:mo>*</mml:mo></mml:msup><mml:mo linebreak="badbreak">−</mml:mo><mml:mi>E</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mrow><mml:mo>(</mml:mo><mml:mi>σ</mml:mi><mml:mo linebreak="badbreak">−</mml:mo><mml:mi>E</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mo stretchy="true">]</mml:mo><mml:msup><mml:mrow/><mml:mrow><mml:mo>−</mml:mo><mml:mn>1</mml:mn></mml:mrow></mml:msup></mml:mrow></mml:math>, where <mml:math altimg="si22.svg"><mml:mrow><mml:mi>σ</mml:mi><mml:mo linebreak="goodbreak">=</mml:mo><mml:mi>x</mml:mi><mml:mo linebreak="goodbreak">+</mml:mo><mml:msub><mml:mi>σ</mml:mi><mml:mi>R</mml:mi></mml:msub><mml:mo linebreak="goodbreak">+</mml:mo><mml:mi>i</mml:mi><mml:msub><mml:mi>σ</mml:mi><mml:mi>I</mml:mi></mml:msub></mml:mrow></mml:math> with <mml:math altimg="si23.svg"><mml:mrow><mml:msub><mml:mi>σ</mml:mi><mml:mi>R</mml:mi></mml:msub><mml:mo>∈</mml:mo><mml:mi mathvariant="double-struck">R</mml:mi></mml:mrow></mml:math> and <ce:italic>σ<ce:inf>I</ce:inf></ce:italic> &#x003E; 0. In the following discussions, we denote the function <ce:italic>f</ce:italic>(<ce:italic>σ<ce:inf>R</ce:inf>, σ<ce:inf>I</ce:inf>, x</ce:italic>) as <ce:italic>f</ce:italic>(<ce:italic>σ</ce:italic>) for simplicity. In contrast to existing literature <ce:cross-ref id="crf0024" refid="bib0056">[56]</ce:cross-ref>, we introduce a free parameter <ce:italic>x</ce:italic> in this work, where <ce:italic>x</ce:italic> takes only two values, 0 and <ce:italic>E</ce:italic><ce:inf>0</ce:inf>. The utility of <ce:italic>x</ce:italic> will become clear in the following discussion. We also note that various kernel choices have been considered in the literature (see, e.g., <ce:cross-refs id="crfs0023" refid="bib0053 bib0056 bib0080 bib0081 bib0082">[53,56,80–82]</ce:cross-refs>), leading to different types of integral transformations; our framework discussed below is also adaptable to those cases.</ce:para><ce:para id="p0015">The LI can be rewritten as<ce:display><ce:formula id="eq0005"><ce:label>(5)</ce:label><mml:math altimg="si24.svg"><mml:mrow><mml:mi mathvariant="script">L</mml:mi><mml:mrow><mml:mo>(</mml:mo><mml:mi>σ</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mo linebreak="goodbreak">=</mml:mo><mml:mrow><mml:mo>∑</mml:mo><mml:mspace width="-0.16em"/><mml:mspace width="-0.16em"/><mml:mspace width="-0.16em"/><mml:mspace width="-0.16em"/><mml:mspace width="-0.16em"/><mml:mspace width="-0.16em"/><mml:mo>∫</mml:mo></mml:mrow><mml:mfrac><mml:mrow><mml:mi>R</mml:mi><mml:mo>(</mml:mo><mml:mi>E</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mrow><mml:msup><mml:mrow><mml:mo>(</mml:mo><mml:mi>E</mml:mi><mml:mo>−</mml:mo><mml:mi>x</mml:mi><mml:mo>−</mml:mo><mml:msub><mml:mi>σ</mml:mi><mml:mi>R</mml:mi></mml:msub><mml:mo>)</mml:mo></mml:mrow><mml:mn>2</mml:mn></mml:msup><mml:mo>+</mml:mo><mml:msubsup><mml:mi>σ</mml:mi><mml:mi>I</mml:mi><mml:mn>2</mml:mn></mml:msubsup></mml:mrow></mml:mfrac><mml:mi>d</mml:mi><mml:mi>E</mml:mi><mml:mo linebreak="goodbreak">=</mml:mo><mml:mrow><mml:mo>〈</mml:mo><mml:mover accent="true"><mml:mrow><mml:mstyle mathvariant="normal"><mml:mi>Ψ</mml:mi></mml:mstyle></mml:mrow><mml:mo stretchy="true">˜</mml:mo></mml:mover><mml:mo>|</mml:mo><mml:mover accent="true"><mml:mrow><mml:mstyle mathvariant="normal"><mml:mi>Ψ</mml:mi></mml:mstyle></mml:mrow><mml:mo stretchy="true">˜</mml:mo></mml:mover><mml:mo>〉</mml:mo></mml:mrow><mml:mo>,</mml:mo></mml:mrow></mml:math></ce:formula></ce:display>where <mml:math altimg="si25.svg"><mml:mrow><mml:mrow><mml:mo stretchy="false">|</mml:mo></mml:mrow><mml:mover accent="true"><mml:mrow><mml:mstyle mathvariant="normal"><mml:mi>Ψ</mml:mi></mml:mstyle></mml:mrow><mml:mo stretchy="true">˜</mml:mo></mml:mover><mml:mrow><mml:mo>〉</mml:mo></mml:mrow></mml:mrow></mml:math> can be solved from the inhomogeneous Schrödinger equation<ce:display><ce:formula id="eq0006"><ce:label>(6)</ce:label><mml:math altimg="si26.svg"><mml:mrow><mml:mo>(</mml:mo><mml:mi>σ</mml:mi><mml:mo linebreak="goodbreak">−</mml:mo><mml:mi>H</mml:mi><mml:mo>)</mml:mo><mml:mrow><mml:mrow><mml:mo>|</mml:mo></mml:mrow><mml:mover accent="true"><mml:mrow><mml:mstyle mathvariant="normal"><mml:mi>Ψ</mml:mi></mml:mstyle></mml:mrow><mml:mo stretchy="true">˜</mml:mo></mml:mover><mml:mrow><mml:mo>〉</mml:mo></mml:mrow></mml:mrow><mml:mo linebreak="goodbreak">=</mml:mo><mml:mrow><mml:mo>|</mml:mo><mml:mstyle mathvariant="normal"><mml:mi>Ω</mml:mi></mml:mstyle><mml:mo>〉</mml:mo></mml:mrow><mml:mo>.</mml:mo></mml:mrow></mml:math></ce:formula></ce:display>It can be shown that <mml:math altimg="si25.svg"><mml:mrow><mml:mrow><mml:mo stretchy="false">|</mml:mo></mml:mrow><mml:mover accent="true"><mml:mrow><mml:mstyle mathvariant="normal"><mml:mi>Ψ</mml:mi></mml:mstyle></mml:mrow><mml:mo stretchy="true">˜</mml:mo></mml:mover><mml:mrow><mml:mo>〉</mml:mo></mml:mrow></mml:mrow></mml:math> is localized and has a finite norm <ce:cross-ref id="crf0025" refid="bib0056">[56]</ce:cross-ref>. Consequently, both the bound and continuum states of <ce:italic>H</ce:italic> are encoded within <mml:math altimg="si25.svg"><mml:mrow><mml:mrow><mml:mo stretchy="false">|</mml:mo></mml:mrow><mml:mover accent="true"><mml:mrow><mml:mstyle mathvariant="normal"><mml:mi>Ψ</mml:mi></mml:mstyle></mml:mrow><mml:mo stretchy="true">˜</mml:mo></mml:mover><mml:mrow><mml:mo>〉</mml:mo></mml:mrow></mml:mrow></mml:math> that can be treated with bound-state-type techniques. This avoids the explicit handling of the distinct asymptotic behaviors of the system’s eigenstates.</ce:para><ce:para id="p0016">Different from prototypical approaches <ce:cross-ref id="crf0026" refid="bib0056">[56]</ce:cross-ref> in solving <mml:math altimg="si25.svg"><mml:mrow><mml:mrow><mml:mo stretchy="false">|</mml:mo></mml:mrow><mml:mover accent="true"><mml:mrow><mml:mstyle mathvariant="normal"><mml:mi>Ψ</mml:mi></mml:mstyle></mml:mrow><mml:mo stretchy="true">˜</mml:mo></mml:mover><mml:mrow><mml:mo>〉</mml:mo></mml:mrow></mml:mrow></mml:math>, we utilize the CPE to evaluate the Green’s function <mml:math altimg="si27.svg"><mml:mrow><mml:mi>G</mml:mi><mml:mrow><mml:mo>(</mml:mo><mml:mi>σ</mml:mi><mml:mo>,</mml:mo><mml:mi>H</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mo>≡</mml:mo><mml:msup><mml:mrow><mml:mo>(</mml:mo><mml:mi>σ</mml:mi><mml:mo>−</mml:mo><mml:mi>H</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mrow><mml:mo>−</mml:mo><mml:mn>1</mml:mn></mml:mrow></mml:msup></mml:mrow></mml:math>. This facilitates the introduction of quantum computing to handle the classically demanding many-body calculations in our hybrid approach. In particular, the CPE of <ce:italic>G</ce:italic>(<ce:italic>σ, H</ce:italic>) is <ce:cross-refs id="crfs0024" refid="bib0052 bib0080">[52,80]</ce:cross-refs><ce:display><ce:formula id="eq0007"><ce:label>(7)</ce:label><mml:math altimg="si28.svg"><mml:mrow><mml:mi>G</mml:mi><mml:mrow><mml:mo>(</mml:mo><mml:mi>σ</mml:mi><mml:mo>,</mml:mo><mml:mi>H</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mo linebreak="goodbreak">=</mml:mo><mml:munder><mml:mo>∑</mml:mo><mml:mrow><mml:mi>k</mml:mi><mml:mo linebreak="badbreak">=</mml:mo><mml:mn>0</mml:mn></mml:mrow></mml:munder><mml:msub><mml:mi>f</mml:mi><mml:mi>k</mml:mi></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi>σ</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:msub><mml:mi>T</mml:mi><mml:mi>k</mml:mi></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi>H</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mo>,</mml:mo></mml:mrow></mml:math></ce:formula></ce:display>where <ce:italic>T<ce:inf>k</ce:inf></ce:italic>( · ) is the Chebyshev polynomial of the first kind <ce:cross-ref id="crf0027" refid="bib0083">[83]</ce:cross-ref>, with <mml:math altimg="si29.svg"><mml:mrow><mml:msub><mml:mrow><mml:mo>∥</mml:mo><mml:mi>H</mml:mi><mml:mo>∥</mml:mo></mml:mrow><mml:mn>2</mml:mn></mml:msub><mml:mo>∈</mml:mo><mml:mrow><mml:mo>[</mml:mo><mml:mo>−</mml:mo><mml:mn>1</mml:mn><mml:mo>,</mml:mo><mml:mn>1</mml:mn><mml:mo>]</mml:mo></mml:mrow></mml:mrow></mml:math> (one rescales <ce:italic>H</ce:italic> otherwise) and <mml:math altimg="si30.svg"><mml:mrow><mml:mi>k</mml:mi><mml:mo linebreak="goodbreak">=</mml:mo><mml:mn>0</mml:mn><mml:mo>,</mml:mo><mml:mn>1</mml:mn><mml:mo>,</mml:mo><mml:mn>2</mml:mn><mml:mo>,</mml:mo><mml:mo>…</mml:mo></mml:mrow></mml:math>. The expansion coefficient <ce:italic>f<ce:inf>k</ce:inf></ce:italic>(<ce:italic>σ</ce:italic>) is<ce:display><ce:formula id="eq0008"><ce:label>(8)</ce:label><mml:math altimg="si31.svg"><mml:mrow><mml:msub><mml:mi>f</mml:mi><mml:mi>k</mml:mi></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi>σ</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mo linebreak="goodbreak">=</mml:mo><mml:mfrac><mml:mrow><mml:mn>2</mml:mn><mml:mo>−</mml:mo><mml:msub><mml:mi>δ</mml:mi><mml:mrow><mml:mi>k</mml:mi><mml:mo>,</mml:mo><mml:mn>0</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:msqrt><mml:mrow><mml:msup><mml:mi>σ</mml:mi><mml:mn>2</mml:mn></mml:msup><mml:mo>−</mml:mo><mml:mn>1</mml:mn></mml:mrow></mml:msqrt></mml:mfrac><mml:mo stretchy="true">(</mml:mo><mml:mi>σ</mml:mi><mml:mo linebreak="goodbreak">−</mml:mo><mml:msqrt><mml:mrow><mml:msup><mml:mi>σ</mml:mi><mml:mn>2</mml:mn></mml:msup><mml:mo linebreak="badbreak">−</mml:mo><mml:mn>1</mml:mn></mml:mrow></mml:msqrt><mml:mo stretchy="true">)</mml:mo><mml:msup><mml:mrow/><mml:mi>k</mml:mi></mml:msup><mml:mo>.</mml:mo></mml:mrow></mml:math></ce:formula></ce:display>The summation is truncated according to the required numerical precision. With <ce:italic>σ<ce:inf>I</ce:inf></ce:italic> &#x003E; 0, <ce:italic>G</ce:italic>(<ce:italic>σ, H</ce:italic>) is smooth for any <mml:math altimg="si23.svg"><mml:mrow><mml:msub><mml:mi>σ</mml:mi><mml:mi>R</mml:mi></mml:msub><mml:mo>∈</mml:mo><mml:mi mathvariant="double-struck">R</mml:mi></mml:mrow></mml:math>, as <ce:italic>H</ce:italic> is Hermitian and its eigenvalues are real. Therefore, the CPE in <ce:cross-ref id="crf0028" refid="eq0007">Eq. (7)</ce:cross-ref> converges exponentially <ce:cross-refs id="crfs0025" refid="bib0057 bib0058 bib0084">[57,58,84]</ce:cross-refs>.</ce:para><ce:para id="p0017">Compared to our previous work <ce:cross-ref id="crf0029" refid="bib0059">[59]</ce:cross-ref>, where the Green’s function is approximated using a discrete Fourier transform combined with the CPE, the polynomial approximation [<ce:cross-ref id="crf0030" refid="eq0007">Eq. (7)</ce:cross-ref>] provides a more direct and convenient treatment of the Green’s function, in which the singularities are removed by introducing a finite positive <ce:italic>σ<ce:inf>I</ce:inf></ce:italic>. The polynomial approximation employed in this work can be further improved by the kernel polynomial method <ce:cross-ref id="crf0031" refid="bib0085">[85]</ce:cross-ref> for enhanced numerical precision and stability. Based on the solution <mml:math altimg="si32.svg"><mml:mrow><mml:mrow><mml:mrow><mml:mo>|</mml:mo></mml:mrow><mml:mover accent="true"><mml:mrow><mml:mstyle mathvariant="normal"><mml:mi>Ψ</mml:mi></mml:mstyle></mml:mrow><mml:mo stretchy="true">˜</mml:mo></mml:mover><mml:mrow><mml:mo>〉</mml:mo></mml:mrow></mml:mrow><mml:mo linebreak="goodbreak">=</mml:mo><mml:mi>G</mml:mi><mml:mo>(</mml:mo><mml:mi>σ</mml:mi><mml:mo>,</mml:mo><mml:mi>H</mml:mi><mml:mo>)</mml:mo><mml:mrow><mml:mo>|</mml:mo><mml:mstyle mathvariant="normal"><mml:mi>Ω</mml:mi></mml:mstyle><mml:mo>〉</mml:mo></mml:mrow></mml:mrow></mml:math>, we have<ce:display><ce:formula id="eq0009"><ce:label>(9)</ce:label><mml:math altimg="si33.svg"><mml:mrow><mml:mi mathvariant="script">L</mml:mi><mml:mrow><mml:mo>(</mml:mo><mml:mi>σ</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mo linebreak="goodbreak">=</mml:mo><mml:munder><mml:mo>∑</mml:mo><mml:mrow><mml:mi>k</mml:mi><mml:mo linebreak="badbreak">=</mml:mo><mml:mn>0</mml:mn></mml:mrow></mml:munder><mml:munder><mml:mo>∑</mml:mo><mml:mrow><mml:mi>j</mml:mi><mml:mo linebreak="badbreak">=</mml:mo><mml:mn>0</mml:mn></mml:mrow></mml:munder><mml:msubsup><mml:mi>f</mml:mi><mml:mi>k</mml:mi><mml:mo>*</mml:mo></mml:msubsup><mml:mrow><mml:mo>(</mml:mo><mml:mi>σ</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:msub><mml:mi>f</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi>σ</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mo linebreak="goodbreak">×</mml:mo><mml:mfrac><mml:mn>1</mml:mn><mml:mn>2</mml:mn></mml:mfrac><mml:mrow><mml:mo stretchy="true">(</mml:mo><mml:mo>〈</mml:mo><mml:mstyle mathvariant="normal"><mml:mi>Ω</mml:mi></mml:mstyle><mml:mo>|</mml:mo></mml:mrow><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>j</mml:mi><mml:mo>+</mml:mo><mml:mi>k</mml:mi></mml:mrow></mml:msub><mml:mrow><mml:mrow><mml:mo>(</mml:mo><mml:mi>H</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mo>|</mml:mo><mml:mstyle mathvariant="normal"><mml:mi>Ω</mml:mi></mml:mstyle><mml:mo>〉</mml:mo></mml:mrow><mml:mo linebreak="goodbreak">+</mml:mo><mml:mrow><mml:mo>〈</mml:mo><mml:mstyle mathvariant="normal"><mml:mi>Ω</mml:mi></mml:mstyle><mml:mo>|</mml:mo></mml:mrow><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mo>|</mml:mo><mml:mi>j</mml:mi><mml:mo>−</mml:mo><mml:mi>k</mml:mi><mml:mo>|</mml:mo></mml:mrow></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi>H</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mrow><mml:mo>|</mml:mo><mml:mstyle mathvariant="normal"><mml:mi>Ω</mml:mi></mml:mstyle><mml:mo>〉</mml:mo></mml:mrow><mml:mo stretchy="true">)</mml:mo><mml:mo>,</mml:mo></mml:mrow></mml:math></ce:formula></ce:display>where we have employed the identity <mml:math altimg="si34.svg"><mml:mrow><mml:mn>2</mml:mn><mml:msub><mml:mi>T</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mrow><mml:mi>ε</mml:mi></mml:mrow><mml:mo>)</mml:mo></mml:mrow><mml:msub><mml:mi>T</mml:mi><mml:mi>k</mml:mi></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mrow><mml:mi>ε</mml:mi></mml:mrow><mml:mo>)</mml:mo></mml:mrow><mml:mo linebreak="goodbreak">=</mml:mo><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mi>j</mml:mi><mml:mo>+</mml:mo><mml:mi>k</mml:mi></mml:mrow></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mrow><mml:mi>ε</mml:mi></mml:mrow><mml:mo>)</mml:mo></mml:mrow><mml:mo linebreak="goodbreak">+</mml:mo><mml:msub><mml:mi>T</mml:mi><mml:mrow><mml:mo>|</mml:mo><mml:mi>j</mml:mi><mml:mo>−</mml:mo><mml:mi>k</mml:mi><mml:mo>|</mml:mo></mml:mrow></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mrow><mml:mi>ε</mml:mi></mml:mrow><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:math> with <mml:math altimg="si35.svg"><mml:mrow><mml:mrow><mml:mi>ε</mml:mi></mml:mrow><mml:mo>∈</mml:mo><mml:mo>[</mml:mo><mml:mo>−</mml:mo><mml:mn>1</mml:mn><mml:mo>,</mml:mo><mml:mn>1</mml:mn><mml:mo>]</mml:mo></mml:mrow></mml:math> <ce:cross-ref id="crf0032" refid="bib0083">[83]</ce:cross-ref>. In this sense, the LI is expressed as a linear combination of a limited set of CMs <mml:math altimg="si36.svg"><mml:mrow><mml:mo>{</mml:mo><mml:mrow><mml:mo>〈</mml:mo><mml:mstyle mathvariant="normal"><mml:mi>Ω</mml:mi></mml:mstyle><mml:mo>|</mml:mo></mml:mrow><mml:msub><mml:mi>T</mml:mi><mml:mi>n</mml:mi></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi>H</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mrow><mml:mo>|</mml:mo><mml:mstyle mathvariant="normal"><mml:mi>Ω</mml:mi></mml:mstyle><mml:mo>〉</mml:mo></mml:mrow><mml:mo>}</mml:mo></mml:mrow></mml:math>. These CMs only depend on <ce:italic>H</ce:italic> and <ce:italic>V</ce:italic>, which determine the reaction dynamics.</ce:para><ce:para id="p0018">The LI can be separated into two parts<ce:display><ce:formula id="eq0010"><ce:label>(10)</ce:label><mml:math altimg="si37.svg"><mml:mrow><mml:mi mathvariant="script">L</mml:mi><mml:mrow><mml:mo>(</mml:mo><mml:mi>σ</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mo linebreak="goodbreak">=</mml:mo><mml:munder><mml:munder accentunder="true"><mml:mrow><mml:msub><mml:mo>∑</mml:mo><mml:mi>n</mml:mi></mml:msub><mml:mfrac><mml:msub><mml:mi>R</mml:mi><mml:mi>n</mml:mi></mml:msub><mml:mrow><mml:msup><mml:mrow><mml:mo>(</mml:mo><mml:msub><mml:mi>σ</mml:mi><mml:mi>R</mml:mi></mml:msub><mml:mo>−</mml:mo><mml:msub><mml:mi>e</mml:mi><mml:mi>n</mml:mi></mml:msub><mml:mo>)</mml:mo></mml:mrow><mml:mn>2</mml:mn></mml:msup><mml:mo>+</mml:mo><mml:msubsup><mml:mi>σ</mml:mi><mml:mi>I</mml:mi><mml:mn>2</mml:mn></mml:msubsup></mml:mrow></mml:mfrac></mml:mrow><mml:mo stretchy="true">︸</mml:mo></mml:munder><mml:mrow><mml:msub><mml:mi mathvariant="script">L</mml:mi><mml:mi>D</mml:mi></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi>σ</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:munder><mml:mo linebreak="goodbreak">+</mml:mo><mml:munder><mml:munder accentunder="true"><mml:mrow><mml:msubsup><mml:mo>∫</mml:mo><mml:mrow><mml:msub><mml:mi>e</mml:mi><mml:mrow><mml:mrow><mml:mi mathvariant="normal">t</mml:mi></mml:mrow><mml:mi>h</mml:mi></mml:mrow></mml:msub></mml:mrow><mml:mi>∞</mml:mi></mml:msubsup><mml:mi>d</mml:mi><mml:mi>e</mml:mi><mml:mfrac><mml:mrow><mml:mi>R</mml:mi><mml:mo>(</mml:mo><mml:mi>e</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mrow><mml:msup><mml:mrow><mml:mo>(</mml:mo><mml:msub><mml:mi>σ</mml:mi><mml:mi>R</mml:mi></mml:msub><mml:mo>−</mml:mo><mml:mi>e</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mn>2</mml:mn></mml:msup><mml:mo>+</mml:mo><mml:msubsup><mml:mi>σ</mml:mi><mml:mi>I</mml:mi><mml:mn>2</mml:mn></mml:msubsup></mml:mrow></mml:mfrac></mml:mrow><mml:mo stretchy="true">︸</mml:mo></mml:munder><mml:mrow><mml:msub><mml:mi mathvariant="script">L</mml:mi><mml:mi>C</mml:mi></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi>σ</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:munder><mml:mo>,</mml:mo></mml:mrow></mml:math></ce:formula></ce:display>where <mml:math altimg="si38.svg"><mml:mrow><mml:msub><mml:mi mathvariant="script">L</mml:mi><mml:mi>D</mml:mi></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi>σ</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:math> and <mml:math altimg="si39.svg"><mml:mrow><mml:msub><mml:mi mathvariant="script">L</mml:mi><mml:mi>C</mml:mi></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi>σ</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:math> denote the contributions from the bound and continuum states, respectively. Notably, we define <mml:math altimg="si40.svg"><mml:mrow><mml:msub><mml:mi>e</mml:mi><mml:mi>n</mml:mi></mml:msub><mml:mo linebreak="goodbreak">=</mml:mo><mml:msub><mml:mi>E</mml:mi><mml:mi>n</mml:mi></mml:msub><mml:mo linebreak="goodbreak">−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:math>, <mml:math altimg="si41.svg"><mml:mrow><mml:mi>e</mml:mi><mml:mo linebreak="goodbreak">=</mml:mo><mml:mi>E</mml:mi><mml:mo linebreak="goodbreak">−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:math>, and <mml:math altimg="si42.svg"><mml:mrow><mml:msub><mml:mi>e</mml:mi><mml:mrow><mml:mrow><mml:mi mathvariant="normal">t</mml:mi></mml:mrow><mml:mi>h</mml:mi></mml:mrow></mml:msub><mml:mo linebreak="goodbreak">=</mml:mo><mml:msub><mml:mi>E</mml:mi><mml:mrow><mml:mrow><mml:mi mathvariant="normal">t</mml:mi></mml:mrow><mml:mi>h</mml:mi></mml:mrow></mml:msub><mml:mo linebreak="goodbreak">−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:math>. For <mml:math altimg="si43.svg"><mml:mrow><mml:mi>x</mml:mi><mml:mo linebreak="goodbreak">=</mml:mo><mml:msub><mml:mi>E</mml:mi><mml:mn>0</mml:mn></mml:msub></mml:mrow></mml:math>, this notation accounts for excitation energies. Accordingly, we rewrite <ce:italic>R</ce:italic>(<ce:italic>E</ce:italic>) as <ce:italic>R</ce:italic>(<ce:italic>e</ce:italic>), whereby <mml:math altimg="si44.svg"><mml:mrow><mml:mi>δ</mml:mi><mml:mo>(</mml:mo><mml:msub><mml:mi>E</mml:mi><mml:mi>n</mml:mi></mml:msub><mml:mo linebreak="goodbreak">−</mml:mo><mml:mi>E</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:math> is replaced by <mml:math altimg="si45.svg"><mml:mrow><mml:mi>δ</mml:mi><mml:mo>(</mml:mo><mml:msub><mml:mi>e</mml:mi><mml:mi>n</mml:mi></mml:msub><mml:mo linebreak="goodbreak">−</mml:mo><mml:mi>e</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:math> and the integration limits are shifted consistently.</ce:para></ce:section><ce:section id="sec0003" view="all"><ce:label>3</ce:label><ce:section-title id="sctt0006">Quantum-classical framework</ce:section-title><ce:para id="p0019">To address the second difficulty, namely the exponential growth of computational resources required for first-principles many-body calculations, we propose a hybrid quantum–classical framework, whose workflow is illustrated in <ce:cross-ref id="crf0033" refid="fig0001">Fig. 1</ce:cross-ref><ce:float-anchor refid="fig0001"/>. In this framework, quantum computers are employed to evaluate the CMs, which encode essential many-body physics and are computationally demanding on classical computers. These CMs are subsequently processed on classical computers to compute the structure and response functions, where this post-processing can be more efficiently performed classically than on quantum hardware.</ce:para><ce:para id="p0020">On the quantum computers, we employ the <ce:italic>direct encoding scheme</ce:italic> to map <ce:italic>N</ce:italic><ce:inf>sp</ce:inf> SP bases onto <ce:italic>N</ce:italic><ce:inf>sp</ce:inf> qubits, where each qubit records the occupation of the corresponding SP basis. The state of the <ce:italic>q</ce:italic>th qubit is <mml:math altimg="si46.svg"><mml:mrow><mml:mrow><mml:mo stretchy="false">|</mml:mo></mml:mrow><mml:msub><mml:mi>b</mml:mi><mml:mi>q</mml:mi></mml:msub><mml:mrow><mml:mo>〉</mml:mo></mml:mrow></mml:mrow></mml:math>, with <ce:italic>b<ce:inf>q</ce:inf></ce:italic> ∈ {0, 1}, denoting that the <ce:italic>q</ce:italic>th SP basis is vacant (<mml:math altimg="si47.svg"><mml:mrow><mml:msub><mml:mi>b</mml:mi><mml:mi>q</mml:mi></mml:msub><mml:mo linebreak="goodbreak">=</mml:mo><mml:mn>0</mml:mn></mml:mrow></mml:math>) or occupied (<mml:math altimg="si48.svg"><mml:mrow><mml:msub><mml:mi>b</mml:mi><mml:mi>q</mml:mi></mml:msub><mml:mo linebreak="goodbreak">=</mml:mo><mml:mn>1</mml:mn></mml:mrow></mml:math>), respectively. Accordingly, a many-fermion state is encoded as <mml:math altimg="si49.svg"><mml:mrow><mml:mrow><mml:mo>|</mml:mo><mml:mi mathvariant="script">F</mml:mi><mml:mo>〉</mml:mo></mml:mrow><mml:mo linebreak="goodbreak">=</mml:mo><mml:mrow><mml:mrow><mml:mo>|</mml:mo></mml:mrow><mml:msub><mml:mi>b</mml:mi><mml:mn>0</mml:mn></mml:msub><mml:mrow><mml:mo>〉</mml:mo></mml:mrow></mml:mrow><mml:mrow><mml:mrow><mml:mo>|</mml:mo></mml:mrow><mml:msub><mml:mi>b</mml:mi><mml:mn>1</mml:mn></mml:msub><mml:mrow><mml:mo>〉</mml:mo></mml:mrow></mml:mrow><mml:mo>⋯</mml:mo><mml:mrow><mml:mrow><mml:mo>|</mml:mo></mml:mrow><mml:msub><mml:mi>b</mml:mi><mml:mrow><mml:msub><mml:mi>N</mml:mi><mml:mrow><mml:mrow><mml:mi mathvariant="normal">s</mml:mi></mml:mrow><mml:mi>p</mml:mi></mml:mrow></mml:msub><mml:mo>−</mml:mo><mml:mn>1</mml:mn></mml:mrow></mml:msub><mml:mrow><mml:mo>〉</mml:mo></mml:mrow></mml:mrow></mml:mrow></mml:math>, which corresponds to a binary string on the quantum register.</ce:para><ce:para id="p0021">We employ a recently developed Hamiltonian input scheme proposed in our previous work <ce:cross-ref id="crf0034" refid="bib0059">[59]</ce:cross-ref> to encode <ce:italic>H</ce:italic> [<ce:cross-ref id="crf0035" refid="eq0001">Eq. (1)</ce:cross-ref>] on a quantum computer. This scheme constructs circuit representations of the fermionic operators, as well as their various combinations, based on the idea of Boolean masking <ce:cross-ref id="crf0036" refid="bib0087">[87]</ce:cross-ref>, thereby avoiding expensive compilation overhead associated with the conventional Jordan–Wigner <ce:cross-refs id="crfs0026" refid="bib0064 bib0065">[64,65]</ce:cross-refs> or Bravyi–Kitaev <ce:cross-refs id="crfs0027" refid="bib0066 bib0067">[66,67]</ce:cross-refs> encodings. With these circuit representations, the quantum-walk approach <ce:cross-refs id="crfs0028" refid="bib0060 bib0061 bib0062">[60–62]</ce:cross-refs> is employed to block-encode <ce:italic>H</ce:italic> as <ce:cross-ref id="crf0037" refid="bib0059">[59, Eq. (8)]</ce:cross-ref>]<ce:display><ce:formula id="eq0011"><ce:label>(11)</ce:label><mml:math altimg="si50.svg"><mml:mrow><mml:mo stretchy="true">(</mml:mo><mml:msub><mml:mrow><mml:mo>〈</mml:mo><mml:mi mathvariant="script">G</mml:mi><mml:mo>|</mml:mo></mml:mrow><mml:mi>s</mml:mi></mml:msub><mml:mi>⊗</mml:mi><mml:msub><mml:mrow><mml:mo>〈</mml:mo><mml:mn>0</mml:mn><mml:mo>|</mml:mo></mml:mrow><mml:mi>a</mml:mi></mml:msub><mml:mo stretchy="true">)</mml:mo><mml:msubsup><mml:mi mathvariant="script">T</mml:mi><mml:mi>b</mml:mi><mml:mo>†</mml:mo></mml:msubsup><mml:msub><mml:mi mathvariant="script">T</mml:mi><mml:mi>f</mml:mi></mml:msub><mml:mo stretchy="true">(</mml:mo><mml:msub><mml:mrow><mml:mo>|</mml:mo><mml:mi mathvariant="script">F</mml:mi><mml:mo>〉</mml:mo></mml:mrow><mml:mi>s</mml:mi></mml:msub><mml:mi>⊗</mml:mi><mml:msub><mml:mrow><mml:mo>|</mml:mo><mml:mn>0</mml:mn><mml:mo>〉</mml:mo></mml:mrow><mml:mi>a</mml:mi></mml:msub><mml:mo stretchy="true">)</mml:mo><mml:mo>=</mml:mo><mml:mfrac><mml:mn>1</mml:mn><mml:mrow><mml:mi mathvariant="script">B</mml:mi><mml:mstyle mathvariant="normal"><mml:mi>Ξ</mml:mi></mml:mstyle></mml:mrow></mml:mfrac><mml:mrow><mml:mo>〈</mml:mo><mml:mi mathvariant="script">G</mml:mi><mml:mo>|</mml:mo></mml:mrow><mml:mi>H</mml:mi><mml:mrow><mml:mo>|</mml:mo><mml:mi mathvariant="script">F</mml:mi><mml:mo>〉</mml:mo></mml:mrow><mml:mo>,</mml:mo></mml:mrow></mml:math></ce:formula></ce:display>where the subscripts <ce:italic>s</ce:italic> and <ce:italic>a</ce:italic> denote the system and ancilla registers, respectively. The states <mml:math altimg="si51.svg"><mml:mrow><mml:mo>|</mml:mo><mml:mi mathvariant="script">G</mml:mi><mml:mo>〉</mml:mo></mml:mrow></mml:math> and <mml:math altimg="si52.svg"><mml:mrow><mml:mo>|</mml:mo><mml:mi mathvariant="script">F</mml:mi><mml:mo>〉</mml:mo></mml:mrow></mml:math> encode the many-fermion states in the system register. <mml:math altimg="si53.svg"><mml:msub><mml:mi mathvariant="script">T</mml:mi><mml:mi>b</mml:mi></mml:msub></mml:math> and <mml:math altimg="si54.svg"><mml:msub><mml:mi mathvariant="script">T</mml:mi><mml:mi>f</mml:mi></mml:msub></mml:math> denote the circuit operations used to construct the quantum-walk states based on <mml:math altimg="si51.svg"><mml:mrow><mml:mo>|</mml:mo><mml:mi mathvariant="script">G</mml:mi><mml:mo>〉</mml:mo></mml:mrow></mml:math>, <mml:math altimg="si52.svg"><mml:mrow><mml:mo>|</mml:mo><mml:mi mathvariant="script">F</mml:mi><mml:mo>〉</mml:mo></mml:mrow></mml:math>, and <ce:italic>H</ce:italic>. The factor <mml:math altimg="si55.svg"><mml:mrow><mml:mi mathvariant="script">B</mml:mi><mml:mo>≥</mml:mo><mml:mi mathvariant="script">D</mml:mi></mml:mrow></mml:math> arises from the diffusion operators in the quantum circuit, whereas <mml:math altimg="si56.svg"><mml:mrow><mml:mstyle mathvariant="normal"><mml:mi>Ξ</mml:mi></mml:mstyle><mml:mo>≥</mml:mo><mml:msub><mml:mi>max</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mrow><mml:mo>|</mml:mo><mml:mrow><mml:mo>〈</mml:mo><mml:msub><mml:mi>Q</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mo>|</mml:mo></mml:mrow><mml:mi>H</mml:mi><mml:mrow><mml:mrow><mml:mo>|</mml:mo></mml:mrow><mml:msub><mml:mi>P</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mrow><mml:mo>〉</mml:mo></mml:mrow></mml:mrow><mml:mo>|</mml:mo></mml:mrow></mml:mrow></mml:math> with <mml:math altimg="si3.svg"><mml:mrow><mml:mi>j</mml:mi><mml:mo>∈</mml:mo><mml:mo>[</mml:mo><mml:mn>0</mml:mn><mml:mo>,</mml:mo><mml:mi mathvariant="script">D</mml:mi><mml:mo linebreak="goodbreak">−</mml:mo><mml:mn>1</mml:mn><mml:mo>]</mml:mo></mml:mrow></mml:math> denotes the maximum norm of the input few-body matrix elements in <ce:cross-ref id="crf0038" refid="eq0001">Eq. (1)</ce:cross-ref>.</ce:para><ce:para id="p0022">By employing a specific technique to encode few-body matrix elements, this quantum-walk-based Hamiltonian input scheme provides a practical circuit design that avoids the explicit construction of the “Prepare oracle” required in the standard LCU approach <ce:cross-ref id="crf0039" refid="bib0059">[59]</ce:cross-ref>, which can become challenging due to the need to extract a large number of matrix elements in general many-body systems. Interested readers are referred to Fig. 2 of Ref. <ce:cross-ref id="crf0040" refid="bib0059">[59]</ce:cross-ref> for an explicit example of the circuit implementation of the Hamiltonian input scheme.</ce:para><ce:para id="p0023">Based on <ce:cross-ref id="crf0041" refid="eq0011">Eq. (11)</ce:cross-ref>, we block-encode the Chebyshev polynomial <ce:italic>T<ce:inf>k</ce:inf></ce:italic>(<ce:italic>H</ce:italic>′), with <mml:math altimg="si57.svg"><mml:mrow><mml:msup><mml:mi>H</mml:mi><mml:mo>′</mml:mo></mml:msup><mml:mo linebreak="goodbreak">=</mml:mo><mml:mi>H</mml:mi><mml:mo linebreak="goodbreak">/</mml:mo><mml:mrow><mml:mo>(</mml:mo><mml:mi mathvariant="script">B</mml:mi><mml:mstyle mathvariant="normal"><mml:mi>Ξ</mml:mi></mml:mstyle><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:math>, utilizing quantum signal processing <ce:cross-refs id="crfs0029" refid="bib0070 bib0071 bib0088">[70,71,88]</ce:cross-refs>. For clarity, we denote the unitary that block-encodes <ce:italic>T<ce:inf>k</ce:inf></ce:italic>(<ce:italic>H</ce:italic>′) as <mml:math altimg="si58.svg"><mml:msub><mml:mi>U</mml:mi><mml:msub><mml:mi>T</mml:mi><mml:mi>k</mml:mi></mml:msub></mml:msub></mml:math> in <ce:cross-ref id="crf0042" refid="fig0001">Fig. 1</ce:cross-ref>. A circuit implementation of <mml:math altimg="si58.svg"><mml:msub><mml:mi>U</mml:mi><mml:msub><mml:mi>T</mml:mi><mml:mi>k</mml:mi></mml:msub></mml:msub></mml:math> can be found, e.g., in Fig. S1 of Ref. <ce:cross-ref id="crf0043" refid="bib0059">[59]</ce:cross-ref>.</ce:para><ce:para id="p0024">Our input scheme enables efficient circuit construction for encoding general many-fermion Hamiltonians with low gate cost <ce:cross-ref id="crf0044" refid="bib0059">[59]</ce:cross-ref>. In particular, the gate complexity scales as <mml:math altimg="si59.svg"><mml:mrow><mml:mover accent="true"><mml:mrow><mml:mi>O</mml:mi></mml:mrow><mml:mo stretchy="true">˜</mml:mo></mml:mover><mml:mrow><mml:mo>(</mml:mo><mml:msubsup><mml:mi>N</mml:mi><mml:mrow><mml:mrow><mml:mi mathvariant="normal">s</mml:mi></mml:mrow><mml:mi>p</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn><mml:mi>η</mml:mi><mml:mo>+</mml:mo><mml:mn>1</mml:mn></mml:mrow></mml:msubsup><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:math> for encoding Hamiltonians containing interaction terms up to <ce:italic>η</ce:italic>-body operators, where the number of monomials scales as <mml:math altimg="si60.svg"><mml:mrow><mml:mover accent="true"><mml:mrow><mml:mi>O</mml:mi></mml:mrow><mml:mo stretchy="true">˜</mml:mo></mml:mover><mml:mrow><mml:mo>(</mml:mo><mml:msubsup><mml:mi>N</mml:mi><mml:mrow><mml:mrow><mml:mi mathvariant="normal">s</mml:mi></mml:mrow><mml:mi>p</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn><mml:mi>η</mml:mi></mml:mrow></mml:msubsup><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:math>. The number of qubits required to encode a many-fermion Hamiltonian in a basis of <ce:italic>N</ce:italic><ce:inf>sp</ce:inf> SP states is <mml:math altimg="si61.svg"><mml:mrow><mml:msub><mml:mi>N</mml:mi><mml:mrow><mml:mrow><mml:mi mathvariant="normal">s</mml:mi></mml:mrow><mml:mi>p</mml:mi></mml:mrow></mml:msub><mml:mo linebreak="goodbreak">+</mml:mo><mml:mrow><mml:mo>⌈</mml:mo><mml:msub><mml:mi>log</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mi mathvariant="script">D</mml:mi><mml:mo>⌉</mml:mo></mml:mrow><mml:mo linebreak="goodbreak">+</mml:mo><mml:mn>4</mml:mn></mml:mrow></mml:math>. Accordingly, <ce:italic>T<ce:inf>k</ce:inf></ce:italic>(<ce:italic>H</ce:italic>′) is encoded using quantum signal processing with one additional qubit, and the corresponding gate complexity scales as <mml:math altimg="si62.svg"><mml:mrow><mml:mover accent="true"><mml:mrow><mml:mi>O</mml:mi></mml:mrow><mml:mo stretchy="true">˜</mml:mo></mml:mover><mml:mrow><mml:mo>(</mml:mo><mml:mi>k</mml:mi><mml:mspace width="0.16em"/><mml:msubsup><mml:mi>N</mml:mi><mml:mrow><mml:mrow><mml:mi mathvariant="normal">s</mml:mi></mml:mrow><mml:mi>p</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn><mml:mi>η</mml:mi><mml:mo>+</mml:mo><mml:mn>1</mml:mn></mml:mrow></mml:msubsup><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:math>.</ce:para><ce:para id="p0025">In this work, we propose an oracle <ce:italic>W</ce:italic><ce:inf>Ω</ce:inf> to encode the source state <mml:math altimg="si18.svg"><mml:mrow><mml:mrow><mml:mo>|</mml:mo><mml:mstyle mathvariant="normal"><mml:mi>Ω</mml:mi></mml:mstyle><mml:mo>〉</mml:mo></mml:mrow><mml:mo linebreak="goodbreak">=</mml:mo><mml:mi>V</mml:mi><mml:mrow><mml:mrow><mml:mo>|</mml:mo></mml:mrow><mml:msub><mml:mstyle mathvariant="normal"><mml:mi>Ψ</mml:mi></mml:mstyle><mml:mn>0</mml:mn></mml:msub><mml:mrow><mml:mo>〉</mml:mo></mml:mrow></mml:mrow></mml:mrow></mml:math> on the system register as <mml:math altimg="si63.svg"><mml:mrow><mml:msub><mml:mrow><mml:mo>|</mml:mo><mml:mstyle mathvariant="normal"><mml:mi>Ω</mml:mi></mml:mstyle><mml:mo>〉</mml:mo></mml:mrow><mml:mi>s</mml:mi></mml:msub><mml:mo linebreak="goodbreak">=</mml:mo><mml:msub><mml:mi>W</mml:mi><mml:mstyle mathvariant="normal"><mml:mi>Ω</mml:mi></mml:mstyle></mml:msub><mml:msub><mml:mrow><mml:mo>|</mml:mo><mml:mn>0</mml:mn><mml:mo>〉</mml:mo></mml:mrow><mml:mi>s</mml:mi></mml:msub></mml:mrow></mml:math>. The systematic circuit design of <ce:italic>W</ce:italic><ce:inf>Ω</ce:inf>, consistent with our Hamiltonian input scheme, requires further developments, which we defer to our forthcoming work <ce:cross-ref id="crf0045" refid="bib0089">[89]</ce:cross-ref>.</ce:para><ce:para id="p0026">We employ the Hadamard test <ce:cross-ref id="crf0046" refid="bib0086">[86]</ce:cross-ref> to quantum compute the CMs based on the circuit representations of <ce:italic>T<ce:inf>k</ce:inf></ce:italic>(<ce:italic>H</ce:italic>′) and <mml:math altimg="si64.svg"><mml:mrow><mml:mo>|</mml:mo><mml:mstyle mathvariant="normal"><mml:mi>Ω</mml:mi></mml:mstyle><mml:mo>〉</mml:mo></mml:mrow></mml:math>, which are realized by the input scheme of <ce:italic>T<ce:inf>k</ce:inf></ce:italic>(<ce:italic>H</ce:italic>′) and the oracle <ce:italic>W</ce:italic><ce:inf>Ω</ce:inf>.</ce:para><ce:para id="p0027">On the classical computers, we collect the CMs evaluated on quantum computers, which are combined with the expansion coefficients to compute the LI [<ce:cross-ref id="crf0047" refid="eq0009">Eq. (9)</ce:cross-ref>]. Based on the LI, we then introduce three protocols to extract the full bound-state spectrum (including the eigenenergies and their total angular momenta <ce:italic>J</ce:italic>) as well as the response function. The details of these protocols are as follows.</ce:para><ce:para id="p0028"><ce:italic>The first protocol</ce:italic> determines the structural information of the Hamiltonian. Since the input schemes for both the Hamiltonian and the corresponding Chebyshev polynomials respect the underlying symmetries of the Hamiltonian, the calculations can be carried out within the cascading <ce:italic>M<ce:inf>J</ce:inf></ce:italic> scheme <ce:cross-refs id="crfs0030" refid="bib0005 bib0059">[5,59]</ce:cross-refs>. In particular, if one elects the source state <mml:math altimg="si65.svg"><mml:mrow><mml:mrow><mml:mo stretchy="false">|</mml:mo></mml:mrow><mml:msub><mml:mstyle mathvariant="normal"><mml:mi>Ω</mml:mi></mml:mstyle><mml:msub><mml:mi>M</mml:mi><mml:mi>J</mml:mi></mml:msub></mml:msub><mml:mrow><mml:mo>〉</mml:mo></mml:mrow></mml:mrow></mml:math> to be a single-configuration state with specific projection <ce:italic>M<ce:inf>J</ce:inf></ce:italic> of <ce:italic>J</ce:italic> (note that <mml:math altimg="si65.svg"><mml:mrow><mml:mrow><mml:mo stretchy="false">|</mml:mo></mml:mrow><mml:msub><mml:mstyle mathvariant="normal"><mml:mi>Ω</mml:mi></mml:mstyle><mml:msub><mml:mi>M</mml:mi><mml:mi>J</mml:mi></mml:msub></mml:msub><mml:mrow><mml:mo>〉</mml:mo></mml:mrow></mml:mrow></mml:math> is not associated with any physical system-probe interaction), the resulting <mml:math altimg="si66.svg"><mml:mrow><mml:mi mathvariant="script">L</mml:mi><mml:mo>(</mml:mo><mml:mi>σ</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:math> receives contributions only from bound or continuum states satisfying <ce:italic>J</ce:italic> ≥ |<ce:italic>M<ce:inf>J</ce:inf></ce:italic>|. Based on this scheme, we employ a set of single-configuration source states <mml:math altimg="si67.svg"><mml:mrow><mml:mo>{</mml:mo><mml:mrow><mml:mrow><mml:mo>|</mml:mo></mml:mrow><mml:msub><mml:mstyle mathvariant="normal"><mml:mi>Ω</mml:mi></mml:mstyle><mml:msub><mml:mi>M</mml:mi><mml:mi>J</mml:mi></mml:msub></mml:msub><mml:mrow><mml:mo>〉</mml:mo></mml:mrow></mml:mrow><mml:mo>}</mml:mo></mml:mrow></mml:math> with cascading <ce:italic>M<ce:inf>J</ce:inf></ce:italic> values to resolve the structural information of the bound states. The inputs, outputs, and methods of this protocol are summarized in <ce:cross-ref id="crf0048" refid="fig0003">Algorithm 1</ce:cross-ref><ce:float-anchor refid="fig0003"/>.</ce:para><ce:para id="p0029">In practice, we set <mml:math altimg="si68.svg"><mml:mrow><mml:mi>x</mml:mi><mml:mo linebreak="goodbreak">=</mml:mo><mml:mn>0</mml:mn></mml:mrow></mml:math> and choose a small <ce:italic>σ<ce:inf>I</ce:inf></ce:italic> to ensure well-separated peaks in <mml:math altimg="si38.svg"><mml:mrow><mml:msub><mml:mi mathvariant="script">L</mml:mi><mml:mi>D</mml:mi></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi>σ</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:math>, while sampling <ce:italic>σ<ce:inf>R</ce:inf></ce:italic> below the threshold energy <ce:italic>E</ce:italic><ce:inf>th</ce:inf>. We compute the LI [<ce:cross-ref id="crf0049" refid="eq0009">Eq. (9)</ce:cross-ref>] as a function of <ce:italic>σ<ce:inf>R</ce:inf></ce:italic> for source states <mml:math altimg="si67.svg"><mml:mrow><mml:mo>{</mml:mo><mml:mrow><mml:mrow><mml:mo>|</mml:mo></mml:mrow><mml:msub><mml:mstyle mathvariant="normal"><mml:mi>Ω</mml:mi></mml:mstyle><mml:msub><mml:mi>M</mml:mi><mml:mi>J</mml:mi></mml:msub></mml:msub><mml:mrow><mml:mo>〉</mml:mo></mml:mrow></mml:mrow><mml:mo>}</mml:mo></mml:mrow></mml:math> with <ce:italic>M<ce:inf>J</ce:inf></ce:italic> &#x003E; 1; for <ce:italic>σ<ce:inf>R</ce:inf></ce:italic> &#x003C; <ce:italic>E</ce:italic><ce:inf>th</ce:inf>, the response <mml:math altimg="si66.svg"><mml:mrow><mml:mi mathvariant="script">L</mml:mi><mml:mo>(</mml:mo><mml:mi>σ</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:math> receives contributions solely from the discrete component <mml:math altimg="si38.svg"><mml:mrow><mml:msub><mml:mi mathvariant="script">L</mml:mi><mml:mi>D</mml:mi></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi>σ</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:math> [<ce:cross-ref id="crf0050" refid="eq0010">Eq. (10)</ce:cross-ref>]. Bound-state energies <ce:italic>E<ce:inf>n</ce:inf></ce:italic> are extracted from the locations of the resolved peaks. Repeating the calculation with the source states <mml:math altimg="si69.svg"><mml:mrow><mml:mo>{</mml:mo><mml:mrow><mml:mrow><mml:mo>|</mml:mo></mml:mrow><mml:msub><mml:mstyle mathvariant="normal"><mml:mi>Ω</mml:mi></mml:mstyle><mml:mrow><mml:msub><mml:mi>M</mml:mi><mml:mi>J</mml:mi></mml:msub><mml:mo>−</mml:mo><mml:mn>1</mml:mn></mml:mrow></mml:msub><mml:mrow><mml:mo>〉</mml:mo></mml:mrow></mml:mrow><mml:mo>}</mml:mo></mml:mrow></mml:math> reveals newly appearing states with <mml:math altimg="si70.svg"><mml:mrow><mml:mi>J</mml:mi><mml:mo linebreak="goodbreak">=</mml:mo><mml:msub><mml:mi>M</mml:mi><mml:mi>J</mml:mi></mml:msub><mml:mo linebreak="goodbreak">−</mml:mo><mml:mn>1</mml:mn></mml:mrow></mml:math>, whose eigenenergies are extracted analogously. Iterating this procedure within the cascading <ce:italic>M<ce:inf>J</ce:inf></ce:italic> scheme yields the energies {<ce:italic>E<ce:inf>n</ce:inf></ce:italic>} and angular momenta {<ce:italic>J<ce:inf>n</ce:inf></ce:italic>} of the bound states.</ce:para><ce:para id="p0030">In <ce:italic>the second protocol</ce:italic>, we compute the coefficients {<ce:italic>R<ce:inf>n</ce:inf></ce:italic>}, which quantify the contributions of discretized states to the response function induced by a physical probe (<ce:cross-ref id="crf0051" refid="fig0004">Algorithm 2</ce:cross-ref><ce:float-anchor refid="fig0004"/>). We employ the same parameter settings as in the first protocol, namely {<ce:italic>σ<ce:inf>R</ce:inf></ce:italic>}, <ce:italic>σ<ce:inf>I</ce:inf></ce:italic>, and <mml:math altimg="si68.svg"><mml:mrow><mml:mi>x</mml:mi><mml:mo linebreak="goodbreak">=</mml:mo><mml:mn>0</mml:mn></mml:mrow></mml:math>, except that we adopt the physical source state <mml:math altimg="si18.svg"><mml:mrow><mml:mrow><mml:mo>|</mml:mo><mml:mstyle mathvariant="normal"><mml:mi>Ω</mml:mi></mml:mstyle><mml:mo>〉</mml:mo></mml:mrow><mml:mo linebreak="goodbreak">=</mml:mo><mml:mi>V</mml:mi><mml:mrow><mml:mrow><mml:mo>|</mml:mo></mml:mrow><mml:msub><mml:mstyle mathvariant="normal"><mml:mi>Ψ</mml:mi></mml:mstyle><mml:mn>0</mml:mn></mml:msub><mml:mrow><mml:mo>〉</mml:mo></mml:mrow></mml:mrow></mml:mrow></mml:math>. The LI is evaluated within the hybrid framework [<ce:cross-ref id="crf0052" refid="eq0009">Eq. (9)</ce:cross-ref>]. We note that, for <ce:italic>σ<ce:inf>R</ce:inf></ce:italic> &#x003C; <ce:italic>E</ce:italic><ce:inf>th</ce:inf>, only the discrete contribution <mml:math altimg="si38.svg"><mml:mrow><mml:msub><mml:mi mathvariant="script">L</mml:mi><mml:mi>D</mml:mi></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi>σ</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:math> enters. With small <ce:italic>σ<ce:inf>I</ce:inf></ce:italic>, the peaks of <mml:math altimg="si38.svg"><mml:mrow><mml:msub><mml:mi mathvariant="script">L</mml:mi><mml:mi>D</mml:mi></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi>σ</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:math> are sufficiently separated, allowing {<ce:italic>R<ce:inf>n</ce:inf></ce:italic>} to be extracted by fitting the Lorentzian line shape [<ce:cross-ref id="crf0053" refid="eq0010">Eq. (10)</ce:cross-ref>]. Using the bound-state energies {<ce:italic>E<ce:inf>n</ce:inf></ce:italic>} obtained from the first protocol, each peak fit reduces to a single-parameter determination of <ce:italic>R<ce:inf>n</ce:inf></ce:italic>.</ce:para><ce:para id="p0031">We note that <ce:italic>R<ce:inf>n</ce:inf></ce:italic> depends on the bound state <mml:math altimg="si15.svg"><mml:mrow><mml:mrow><mml:mo stretchy="false">|</mml:mo></mml:mrow><mml:msub><mml:mstyle mathvariant="normal"><mml:mi>Ψ</mml:mi></mml:mstyle><mml:mi>n</mml:mi></mml:msub><mml:mrow><mml:mo>〉</mml:mo></mml:mrow></mml:mrow></mml:math> and the physical source state <mml:math altimg="si64.svg"><mml:mrow><mml:mo>|</mml:mo><mml:mstyle mathvariant="normal"><mml:mi>Ω</mml:mi></mml:mstyle><mml:mo>〉</mml:mo></mml:mrow></mml:math>, i.e., <mml:math altimg="si71.svg"><mml:mrow><mml:msub><mml:mi>R</mml:mi><mml:mi>n</mml:mi></mml:msub><mml:mo linebreak="goodbreak">=</mml:mo><mml:mrow><mml:mo>〈</mml:mo><mml:mstyle mathvariant="normal"><mml:mi>Ω</mml:mi></mml:mstyle><mml:mo>|</mml:mo><mml:msub><mml:mstyle mathvariant="normal"><mml:mi>Ψ</mml:mi></mml:mstyle><mml:mi>n</mml:mi></mml:msub><mml:mo>〉</mml:mo></mml:mrow><mml:mrow><mml:mo>〈</mml:mo><mml:msub><mml:mstyle mathvariant="normal"><mml:mi>Ψ</mml:mi></mml:mstyle><mml:mi>n</mml:mi></mml:msub><mml:mo>|</mml:mo><mml:mstyle mathvariant="normal"><mml:mi>Ω</mml:mi></mml:mstyle><mml:mo>〉</mml:mo></mml:mrow></mml:mrow></mml:math>. This identity provides a direct cross-check of the hybrid framework for model systems of limited size. For large many-body systems, however, the direct classical evaluation of <ce:italic>R<ce:inf>n</ce:inf></ce:italic> is computationally demanding; by exploiting the complementary strengths of quantum and classical computers, the present hybrid framework offers a viable and scalable solution.</ce:para><ce:para id="p0032">In <ce:italic>the third protocol</ce:italic>, we compute the response function <ce:italic>R</ce:italic>(<ce:italic>e</ce:italic>) as a function of the excitation energy <ce:italic>e</ce:italic>, using the physical source state <mml:math altimg="si18.svg"><mml:mrow><mml:mrow><mml:mo>|</mml:mo><mml:mstyle mathvariant="normal"><mml:mi>Ω</mml:mi></mml:mstyle><mml:mo>〉</mml:mo></mml:mrow><mml:mo linebreak="goodbreak">=</mml:mo><mml:mi>V</mml:mi><mml:mrow><mml:mrow><mml:mo>|</mml:mo></mml:mrow><mml:msub><mml:mstyle mathvariant="normal"><mml:mi>Ψ</mml:mi></mml:mstyle><mml:mn>0</mml:mn></mml:msub><mml:mrow><mml:mo>〉</mml:mo></mml:mrow></mml:mrow></mml:mrow></mml:math> together with the inputs {<ce:italic>E<ce:inf>n</ce:inf></ce:italic>} (equivalently {<ce:italic>e<ce:inf>n</ce:inf></ce:italic>}) and {<ce:italic>R<ce:inf>n</ce:inf></ce:italic>} obtained from the first two protocols. We summarize this protocol in <ce:cross-ref id="crf0054" refid="fig0005">Algorithm 3</ce:cross-ref><ce:float-anchor refid="fig0005"/>. In practice, we set <mml:math altimg="si43.svg"><mml:mrow><mml:mi>x</mml:mi><mml:mo linebreak="goodbreak">=</mml:mo><mml:msub><mml:mi>E</mml:mi><mml:mn>0</mml:mn></mml:msub></mml:mrow></mml:math> and choose a moderate <ce:italic>σ<ce:inf>I</ce:inf></ce:italic> (e.g., of the order of <ce:italic>e</ce:italic><ce:inf>th</ce:inf>) when evaluating the LI over <mml:math altimg="si72.svg"><mml:mrow><mml:msub><mml:mi>σ</mml:mi><mml:mi>R</mml:mi></mml:msub><mml:mo>∈</mml:mo><mml:mrow><mml:mo>[</mml:mo><mml:msub><mml:mi>e</mml:mi><mml:mrow><mml:mrow><mml:mi mathvariant="normal">t</mml:mi></mml:mrow><mml:mi>h</mml:mi></mml:mrow></mml:msub><mml:mo>,</mml:mo><mml:mspace width="0.16em"/><mml:msub><mml:mi>e</mml:mi><mml:mrow><mml:mi>max</mml:mi></mml:mrow></mml:msub><mml:mo>]</mml:mo></mml:mrow></mml:mrow></mml:math>, where <mml:math altimg="si73.svg"><mml:msub><mml:mi>e</mml:mi><mml:mrow><mml:mi>max</mml:mi></mml:mrow></mml:msub></mml:math> is some cutoff energy. For <ce:italic>σ<ce:inf>R</ce:inf></ce:italic> ≥ <ce:italic>e</ce:italic><ce:inf>th</ce:inf>, the LI receives contributions from both bound and continuum states [<ce:cross-ref id="crf0055" refid="eq0010">Eq. (10)</ce:cross-ref>]. The continuum contribution <mml:math altimg="si39.svg"><mml:mrow><mml:msub><mml:mi mathvariant="script">L</mml:mi><mml:mi>C</mml:mi></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi>σ</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:math> is obtained by subtracting the discrete contribution <mml:math altimg="si38.svg"><mml:mrow><mml:msub><mml:mi mathvariant="script">L</mml:mi><mml:mi>D</mml:mi></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi>σ</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:math> from the LI, and <ce:italic>R</ce:italic>(<ce:italic>e</ce:italic>) is then extracted from <mml:math altimg="si39.svg"><mml:mrow><mml:msub><mml:mi mathvariant="script">L</mml:mi><mml:mi>C</mml:mi></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi>σ</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:math> using the integral inversion technique in Section 3.5 of Ref. <ce:cross-ref id="crf0056" refid="bib0056">[56]</ce:cross-ref>.</ce:para></ce:section><ce:section id="sec0004" view="all" role="results"><ce:label>4</ce:label><ce:section-title id="sctt0007">Results and discussions</ce:section-title><ce:para id="p0033">We demonstrate the framework by computing the bound-state structure and response function of <ce:sup>19</ce:sup>O using a nonrelativistic two-body Hamiltonian formulated in a three-dimensional harmonic-oscillator basis <ce:cross-ref id="crf0057" refid="bib0091">[91]</ce:cross-ref>. We retain the SP basis in the 0<ce:italic>d</ce:italic><ce:inf>5/2</ce:inf>1<ce:italic>s</ce:italic><ce:inf>1/2</ce:inf> orbitals and exclude those in the 0<ce:italic>d</ce:italic><ce:inf>3/2</ce:inf>. The few-body matrix elements of the Hamiltonian are available in Table S3 of Ref. <ce:cross-ref id="crf0058" refid="bib0059">[59]</ce:cross-ref>; these elements are derived from realistic nuclear interactions <ce:cross-ref id="crf0059" refid="bib0072">[72]</ce:cross-ref> via a transformation from the coupled basis to the SP basis <ce:cross-ref id="crf0060" refid="bib0091">[91]</ce:cross-ref>. The Hamiltonian is block encoded into a quantum circuit employing the input scheme of Ref. <ce:cross-ref id="crf0061" refid="bib0059">[59]</ce:cross-ref>. Although the present calculations are performed in a limited model space, the same approach can be extended to no-core shell model calculations <ce:cross-refs id="crfs0031" refid="bib0005 bib0092 bib0093">[5,92,93]</ce:cross-refs> and to BLFQ studies of structure and dynamics in QCD systems <ce:cross-refs id="crfs0032" refid="bib0076 bib0077 bib0078 bib0094 bib0095 bib0096 bib0097 bib0098 bib0099">[76–78,94–99]</ce:cross-refs>.</ce:para><ce:para id="p0034">We evaluate the CMs employing the IBM Qiskit <ce:cross-ref id="crf0062" refid="bib0100">[100]</ce:cross-ref> statevector simulator in noiseless mode and validate them against independent classical calculations. On future fault-tolerant quantum hardware, these moments can be obtained using standard quantum algorithms, such as the Hadamard test <ce:cross-ref id="crf0063" refid="bib0086">[86]</ce:cross-ref>. The LI is subsequently evaluated on a classical computer from the CMs according to <ce:cross-ref id="crf0064" refid="eq0009">Eq. (9)</ce:cross-ref>.</ce:para><ce:para id="p0035">We apply the first protocol to achieve the bound-state spectrum of <ce:sup>19</ce:sup>O applying a set of many-body states. As stated in <ce:cross-ref id="crf0065" refid="fig0003">Algorithm 1</ce:cross-ref>, these states are of cascading <ce:italic>M<ce:inf>J</ce:inf></ce:italic> values, each of which is of a single configuration that can be prepared on the quantum computer in a straightforward manner. The resulting excitation spectrum is shown in <ce:cross-ref id="crf0066" refid="fig0002">Fig. 2</ce:cross-ref><ce:float-anchor refid="fig0002"/>a, together with their <ce:italic>J</ce:italic> values and parities. These results agree with those obtained from classical calculations based on the full-configuration interaction (FCI) approach <ce:cross-ref id="crf0067" refid="bib0004">[4]</ce:cross-ref>. We expect better agreement with the experiment <ce:cross-ref id="crf0068" refid="bib0090">[90]</ce:cross-ref> when we further include the SP bases in the 0<ce:italic>d</ce:italic><ce:inf>3/2</ce:inf> shell.</ce:para><ce:para id="p0036">Next, we demonstrate the protocols for solving the LI and the response function. To this end, we elect a simple source state <mml:math altimg="si64.svg"><mml:mrow><mml:mo>|</mml:mo><mml:mstyle mathvariant="normal"><mml:mi>Ω</mml:mi></mml:mstyle><mml:mo>〉</mml:mo></mml:mrow></mml:math> that is chosen to be of an equal-weight combination of the configurations <mml:math altimg="si74.svg"><mml:mrow><mml:mrow><mml:mo>(</mml:mo><mml:mn>1</mml:mn><mml:msub><mml:mi>s</mml:mi><mml:mrow><mml:mfrac><mml:mn>1</mml:mn><mml:mn>2</mml:mn></mml:mfrac><mml:mo>,</mml:mo><mml:mo>−</mml:mo><mml:mfrac><mml:mn>1</mml:mn><mml:mn>2</mml:mn></mml:mfrac></mml:mrow></mml:msub><mml:mo>)</mml:mo></mml:mrow><mml:mrow><mml:mo>(</mml:mo><mml:mn>1</mml:mn><mml:msub><mml:mi>s</mml:mi><mml:mrow><mml:mfrac><mml:mn>1</mml:mn><mml:mn>2</mml:mn></mml:mfrac><mml:mo>,</mml:mo><mml:mfrac><mml:mn>1</mml:mn><mml:mn>2</mml:mn></mml:mfrac></mml:mrow></mml:msub><mml:mo>)</mml:mo></mml:mrow><mml:mrow><mml:mo>(</mml:mo><mml:mn>0</mml:mn><mml:msub><mml:mi>d</mml:mi><mml:mrow><mml:mfrac><mml:mn>5</mml:mn><mml:mn>2</mml:mn></mml:mfrac><mml:mo>,</mml:mo><mml:mfrac><mml:mn>1</mml:mn><mml:mn>2</mml:mn></mml:mfrac></mml:mrow></mml:msub><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:math>, <mml:math altimg="si75.svg"><mml:mrow><mml:mrow><mml:mo>(</mml:mo><mml:mn>1</mml:mn><mml:msub><mml:mi>s</mml:mi><mml:mrow><mml:mfrac><mml:mn>1</mml:mn><mml:mn>2</mml:mn></mml:mfrac><mml:mo>,</mml:mo><mml:mfrac><mml:mn>1</mml:mn><mml:mn>2</mml:mn></mml:mfrac></mml:mrow></mml:msub><mml:mo>)</mml:mo></mml:mrow><mml:mrow><mml:mo>(</mml:mo><mml:mn>0</mml:mn><mml:msub><mml:mi>d</mml:mi><mml:mrow><mml:mfrac><mml:mn>5</mml:mn><mml:mn>2</mml:mn></mml:mfrac><mml:mo>,</mml:mo><mml:mo>−</mml:mo><mml:mfrac><mml:mn>5</mml:mn><mml:mn>2</mml:mn></mml:mfrac></mml:mrow></mml:msub><mml:mo>)</mml:mo></mml:mrow><mml:mrow><mml:mo>(</mml:mo><mml:mn>0</mml:mn><mml:msub><mml:mi>d</mml:mi><mml:mrow><mml:mfrac><mml:mn>5</mml:mn><mml:mn>2</mml:mn></mml:mfrac><mml:mo>,</mml:mo><mml:mfrac><mml:mn>5</mml:mn><mml:mn>2</mml:mn></mml:mfrac></mml:mrow></mml:msub><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:math>, and <mml:math altimg="si76.svg"><mml:mrow><mml:mrow><mml:mo>(</mml:mo><mml:mn>0</mml:mn><mml:msub><mml:mi>d</mml:mi><mml:mrow><mml:mfrac><mml:mn>5</mml:mn><mml:mn>2</mml:mn></mml:mfrac><mml:mo>,</mml:mo><mml:mo>−</mml:mo><mml:mfrac><mml:mn>5</mml:mn><mml:mn>2</mml:mn></mml:mfrac></mml:mrow></mml:msub><mml:mo>)</mml:mo></mml:mrow><mml:mrow><mml:mo>(</mml:mo><mml:mn>0</mml:mn><mml:msub><mml:mi>d</mml:mi><mml:mrow><mml:mfrac><mml:mn>5</mml:mn><mml:mn>2</mml:mn></mml:mfrac><mml:mo>,</mml:mo><mml:mfrac><mml:mn>1</mml:mn><mml:mn>2</mml:mn></mml:mfrac></mml:mrow></mml:msub><mml:mo>)</mml:mo></mml:mrow><mml:mrow><mml:mo>(</mml:mo><mml:mn>0</mml:mn><mml:msub><mml:mi>d</mml:mi><mml:mrow><mml:mfrac><mml:mn>5</mml:mn><mml:mn>2</mml:mn></mml:mfrac><mml:mo>,</mml:mo><mml:mfrac><mml:mn>5</mml:mn><mml:mn>2</mml:mn></mml:mfrac></mml:mrow></mml:msub><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:math>. This choice implicitly defines the unitless test system-probe interaction <ce:italic>V</ce:italic>, insofar as the source state can be generated by its action on the ground state <mml:math altimg="si77.svg"><mml:mrow><mml:mrow><mml:mo stretchy="false">|</mml:mo></mml:mrow><mml:msub><mml:mstyle mathvariant="normal"><mml:mi>Ψ</mml:mi></mml:mstyle><mml:mn>0</mml:mn></mml:msub><mml:mrow><mml:mo>〉</mml:mo></mml:mrow></mml:mrow></mml:math> of <ce:sup>19</ce:sup>O. We implement the oracle <ce:italic>W</ce:italic><ce:inf>Ω</ce:inf> to prepare <mml:math altimg="si64.svg"><mml:mrow><mml:mo>|</mml:mo><mml:mstyle mathvariant="normal"><mml:mi>Ω</mml:mi></mml:mstyle><mml:mo>〉</mml:mo></mml:mrow></mml:math>, where, in this work, the circuit of <ce:italic>W</ce:italic><ce:inf>Ω</ce:inf> is realized by the protocol of initial state preparation in Qiskit.</ce:para><ce:para id="p0037">Based on <mml:math altimg="si64.svg"><mml:mrow><mml:mo>|</mml:mo><mml:mstyle mathvariant="normal"><mml:mi>Ω</mml:mi></mml:mstyle><mml:mo>〉</mml:mo></mml:mrow></mml:math> and the spectral information, we apply <ce:cross-ref id="crf0069" refid="fig0004">Algorithm 2</ce:cross-ref> to obtain {<ce:italic>R<ce:inf>n</ce:inf></ce:italic>}. Then, we apply <ce:cross-ref id="crf0070" refid="fig0005">Algorithm 3</ce:cross-ref> to obtain <mml:math altimg="si39.svg"><mml:mrow><mml:msub><mml:mi mathvariant="script">L</mml:mi><mml:mi>C</mml:mi></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi>σ</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:math>, based on which we obtain the response function <ce:italic>R</ce:italic>(<ce:italic>e</ce:italic>) for <ce:italic>e</ce:italic> ≥ <ce:italic>e</ce:italic><ce:inf>th</ce:inf>. Here, we compute the threshold energy for the neutron separation to be <mml:math altimg="si78.svg"><mml:mrow><mml:msub><mml:mi>e</mml:mi><mml:mrow><mml:mrow><mml:mi mathvariant="normal">t</mml:mi></mml:mrow><mml:mi>h</mml:mi></mml:mrow></mml:msub><mml:mo linebreak="goodbreak">=</mml:mo><mml:mn>3.919</mml:mn></mml:mrow></mml:math> MeV from the ground state energies of <ce:sup>18</ce:sup>O and <ce:sup>19</ce:sup>O obtained from our hybrid framework, which are <mml:math altimg="si79.svg"><mml:mrow><mml:msub><mml:mi>E</mml:mi><mml:mn>0</mml:mn></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:msup><mml:mrow/><mml:mn>18</mml:mn></mml:msup><mml:mi mathvariant="normal">O</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mo linebreak="goodbreak">=</mml:mo><mml:mo>−</mml:mo><mml:mn>11.155</mml:mn></mml:mrow></mml:math> MeV and <mml:math altimg="si80.svg"><mml:mrow><mml:msub><mml:mi>E</mml:mi><mml:mn>0</mml:mn></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:msup><mml:mrow/><mml:mn>19</mml:mn></mml:msup><mml:mi mathvariant="normal">O</mml:mi><mml:mo>)</mml:mo></mml:mrow><mml:mo linebreak="goodbreak">=</mml:mo><mml:mo>−</mml:mo><mml:mn>15.074</mml:mn></mml:mrow></mml:math> MeV, respectively. This separation energy compare well with the experiment <ce:cross-ref id="crf0071" refid="bib0090">[90]</ce:cross-ref>, which is 3.956 MeV.</ce:para><ce:para id="p0038">We present the LI as a function of <ce:italic>σ<ce:inf>R</ce:inf></ce:italic> ≥ 0 in <ce:cross-ref id="crf0072" refid="fig0002">Fig. 2</ce:cross-ref>b, where <ce:italic>σ<ce:inf>I</ce:inf></ce:italic> is fixed to be 8 MeV for illustration. According to <ce:cross-ref id="crf0073" refid="eq0010">Eq. (10)</ce:cross-ref>, only the bound states contribute to the LI below the threshold, while both the bound and continuum states contribute above it. The <ce:italic>R</ce:italic>(<ce:italic>e</ce:italic>) results for <ce:italic>e</ce:italic> ≥ <ce:italic>e</ce:italic><ce:inf>th</ce:inf> are presented in <ce:cross-ref id="crf0074" refid="fig0002">Fig. 2</ce:cross-ref>c. We find that the <ce:italic>R</ce:italic>(<ce:italic>e</ce:italic>) results converge well. We tested that the converged results are independent of <ce:italic>σ<ce:inf>I</ce:inf></ce:italic> over the range <ce:italic>σ<ce:inf>I</ce:inf></ce:italic> ∈ [5, 14] MeV based on the <mml:math altimg="si39.svg"><mml:mrow><mml:msub><mml:mi mathvariant="script">L</mml:mi><mml:mi>C</mml:mi></mml:msub><mml:mrow><mml:mo>(</mml:mo><mml:mi>σ</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:mrow></mml:math> results with <ce:italic>σ<ce:inf>R</ce:inf></ce:italic> ∈ [<ce:italic>e</ce:italic><ce:inf>th</ce:inf>, 40] MeV. The associated fitting uncertainties are indicated by the uncertainty band. We note that the present fit and its associated uncertainty band are derived from a limited representation of continuum states in our demonstration problem. A more comprehensive fit and corresponding uncertainty analysis, such as that in Ref. <ce:cross-ref id="crf0075" refid="bib0101">[101]</ce:cross-ref>, are deferred to future work, where more realistic Hamiltonians will be adopted to provide improved descriptions of continuum states. Furthermore, as a validity check, we reconstruct the LI according to <ce:cross-ref id="crf0076" refid="eq0010">Eq. (10)</ce:cross-ref> based on the fitted results of <ce:italic>R</ce:italic>(<ce:italic>e</ce:italic>), {<ce:italic>R<ce:inf>n</ce:inf></ce:italic>}, and {<ce:italic>E<ce:inf>n</ce:inf></ce:italic>} in <ce:cross-ref id="crf0077" refid="fig0002">Fig. 2</ce:cross-ref>b. The reconstructed LI agrees with the input data.</ce:para></ce:section><ce:section id="sec0005" view="all"><ce:label>5</ce:label><ce:section-title id="sctt0008">Conclusion and outlook</ce:section-title><ce:para id="p0039">We introduce a quantum-classical framework for computing response functions and the full bound-state spectra of general many-fermion systems. This framework is based on the LIT and a recently developed input scheme that enables efficient and practical circuit construction for block-encoding second-quantized Hamiltonians. We propose a hybrid scheme to compute the LI using a limited set of CMs evaluated on quantum computers. These CMs are post-processed on classical computers to reconstruct the LI. Based on the LI, we further introduce three protocols for extracting bound-state structural information and response functions of many-fermion systems. Our framework is practical and scalable, opening a new avenue for addressing various many-fermion structure and dynamics problems in quantum chemistry, nuclear physics, and field theories on future fault-tolerant quantum computers.</ce:para><ce:para id="p0040">As a demonstration, we apply the framework to <ce:sup>19</ce:sup>O using a realistic internucleon interaction. We obtain the eigenenergies and total angular momenta of the full bound-state spectrum, which show good agreement with the FCI results from classical calculations. We also compute the response function for a test probe in this work. With realistic system-probe interactions, such response functions provide reaction cross sections when combined with the corresponding kinematics.</ce:para><ce:para id="p0041">Going forward, we plan to develop an efficient scheme for constructing the source-state oracle <mml:math altimg="si81.svg"><mml:msub><mml:mi>W</mml:mi><mml:mstyle mathvariant="normal"><mml:mi>Ω</mml:mi></mml:mstyle></mml:msub></mml:math>, including systematic circuit designs for a wide class of system-probe interaction operators, together with efficient algorithms for ground-state preparation <ce:cross-refs id="crfs0033" refid="bib0102 bib0103">[102,103]</ce:cross-refs>. Building on the hybrid framework introduced here, and incorporating the Hamiltonian input scheme for many-boson systems <ce:cross-ref id="crf0078" refid="bib0079">[79]</ce:cross-ref>, these developments will complete the toolkit for computing response functions of general many-body systems across various fields. Furthermore, we aim to simplify circuit designs (e.g., via quantum machine learning <ce:cross-refs id="crfs0034" refid="bib0104 bib0105">[104,105]</ce:cross-refs>), thereby enabling demonstrations of the framework on NISQ hardware <ce:cross-ref id="crf0079" refid="bib0106">[106]</ce:cross-ref> for simplified model problems.</ce:para></ce:section></ce:sections><ce:conflict-of-interest id="sec0006"><ce:section-title id="sctt0009">Declaration of competing interest</ce:section-title><ce:para id="p0042">The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.</ce:para></ce:conflict-of-interest><ce:acknowledgment id="ack0001"><ce:section-title id="sctt0010">Acknowledgment</ce:section-title><ce:para id="p0043">We are grateful for fruitful discussions with Xilin Zhang. JPV and CY are thankful for discussions with Pieter Maris and Peter Love. WD acknowledges discussions with Andrey M. Shirokov and Peng Yin. This work was supported in part by the U.S. DOE Grant DE-SC0023707 under the Office of Nuclear Physics Quantum Horizons program for the “Nuclei and Hadrons with Quantum Computers (NuHaQ)” project. This project was also supported in part by NSF Grant No. 2435255 (NQVL-QSTD: Q-BLUE). WD is supported by startup funding from the Chinese Academy of Sciences. 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