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<p>The full configuration interaction quantum Monte Carlo (FCIQMC) method, originally developed in quantum chemistry, has also been successful for both molecular and condensed matter systems. Another natural extension of this methodology is its application to nuclear structure calculations. We developed an FCIQMC approach to study nuclear systems. To validate this method, we applied FCIQMC to a small model space, where the standard shell model remains computationally feasible. Specifically, we performed calculations for <InlineEquation ID="IEq1"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="41365_2025_1790_Article_IEq1.gif" Format="GIF" Height="14" Rendition="HTML" Resolution="72" Type="Linedraw" Width="18" /> </InlineMediaObject> <EquationSource Format="TEX">\(\textrm{Fe}\)</EquationSource> <EquationSource Format="MATHML"><math> <mtext>Fe</mtext> </math></EquationSource> </InlineEquation> isotopes using <i>pf</i>-shell GXPF1A interaction and compared the results with those obtained from the standard shell model calculations. To further demonstrate the capabilities of the FCIQMC, we investigated its performance in systems exhibiting strong correlations, where conventional nuclear structure models are less effective. Using an artificially constructed strongly correlated system with a modified GXPF1A interaction, our calculations revealed that FCIQMC delivered superior results compared to many existing methods. Finally, we applied FCIQMC to <InlineEquation ID="IEq2"> <InlineMediaObject> <ImageObject Color="BlackWhite" FileRef="41365_2025_1790_Article_IEq2.gif" Format="GIF" Height="17" Rendition="HTML" Resolution="72" Type="Linedraw" Width="25" /> </InlineMediaObject> <EquationSource Format="TEX">\(\textrm{Mg}\)</EquationSource> <EquationSource Format="MATHML"><math> <mtext>Mg</mtext> </math></EquationSource> </InlineEquation> isotopes in the <i>sdpf</i>-shell model space, showing its potential to perform accurate calculations in large model spaces that are inaccessible to the shell model because of the limitations of current computational resources.</p>

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Full configuration interaction quantum Monte Carlo in nuclear structure calculations

  • 期刊论文

  • 发表日期：

    2025年8月20日

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  • Shao-Liang Jin,
  • Jian-Guo Li,
  • Yuan Gao,
  • Rong-Zhe Hu,
  • Fu-Rong Xu

摘要

The full configuration interaction quantum Monte Carlo (FCIQMC) method, originally developed in quantum chemistry, has also been successful for both molecular and condensed matter systems. Another natural extension of this methodology is its application to nuclear structure calculations. We developed an FCIQMC approach to study nuclear systems. To validate this method, we applied FCIQMC to a small model space, where the standard shell model remains computationally feasible. Specifically, we performed calculations for \(\textrm{Fe}\) Fe isotopes using pf-shell GXPF1A interaction and compared the results with those obtained from the standard shell model calculations. To further demonstrate the capabilities of the FCIQMC, we investigated its performance in systems exhibiting strong correlations, where conventional nuclear structure models are less effective. Using an artificially constructed strongly correlated system with a modified GXPF1A interaction, our calculations revealed that FCIQMC delivered superior results compared to many existing methods. Finally, we applied FCIQMC to \(\textrm{Mg}\) Mg isotopes in the sdpf-shell model space, showing its potential to perform accurate calculations in large model spaces that are inaccessible to the shell model because of the limitations of current computational resources.