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Qcombo: A Python Package for Automated Commutator Calculations of Quantum Many-Body Operators

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arxiv 2603.24399 v2 pith:DDTHJWRA submitted 2026-03-25 nucl-th cond-mat.str-el

Qcombo: A Python Package for Automated Commutator Calculations of Quantum Many-Body Operators

L. H. Chen , Y. Li , H. Hergert , J. M. Yao This is my paper
classification nucl-th cond-mat.str-el
keywords packagemany-bodyoperatorsqcomboquantumautomatedcalculationsimsrg
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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qcombo is a Python package for the symbolic evaluation of commutators between general quantum many-body operators expressed in normal-ordered form using the generalized Wick theorem. The package provides an automated and systematic framework for generating the corresponding algebraic expressions, significantly reducing the risk of human error in lengthy and complex analytical derivations. It is designed to assist the development and implementation of modern many-body methods in nuclear physics, quantum chemistry, and related fields. The functionality and workflow of the package are demonstrated through an application to the in-medium similarity renormalization group (IMSRG) method, which has been widely used for nuclear ab initio calculations. As a representative example, qcombo is employed to automatically generate the complete set of multi-reference IMSRG flow equations with operators truncated at the normal-ordered three-body level.

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Cited by 2 Pith papers

Reviewed papers in the Pith corpus that reference this work. Sorted by Pith novelty score.

  1. High-order perturbative calculations of nuclear ground states: Automated evaluation of many-body diagrams

    nucl-th 2026-06 unverdicted novelty 7.0

    Automated MBPT up to fifth order shows convergence trends in ground-state energies of closed-shell nuclei and decomposes fourth-order terms while comparing to IMSRG.

  2. High-order perturbative calculations of nuclear ground states: Automated evaluation of many-body diagrams

    nucl-th 2026-06 conditional novelty 6.0

    Automated MBPT through fifth order yields converging ground-state energies for closed-shell nuclei up to 78Ni and exposes missing triples/quadruples in IMSRG(2).