Thermal mean-field theories

Several closely related ab initio thermal mean-field theories for fermions, both well-established and new ones, are compared with one another at the formalism level and numerically. The theories considered are Fermi-Dirac theory; thermal Hartree-Fock (HF) theory; two modifications of the thermal single-determinant approximation of Kaplan and Argyres, Ann. Phys. 92, 1-24 (1975); and the first-order finite-temperature many-body perturbation theory based on a zero-temperature or thermal HF reference. Thermal full-configuration-interaction theory is used as the benchmark.

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Publication Details

Journal
The Journal of Chemical Physics
Published
2024-12-04
DOI
https://doi.org/10.1063/5.0235259
Citations
2
Primary Topic
Physics of Superconductivity and Magnetism
Type
article
Field-Weighted Citation Impact
0.62

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article

Thermal mean-field theories

So Hirata, Pinhao Gu
2 citations
The Journal of Chemical Physics
Physics of Superconductivity and Magnetism
0.62
article

Thermal mean-field theories

So Hirata, Pinhao Gu
article en
2 citations

Abstract

Several closely related ab initio thermal mean-field theories for fermions, both well-established and new ones, are compared with one another at the formalism level and numerically. The theories considered are Fermi-Dirac theory; thermal Hartree-Fock (HF) theory; two modifications of the thermal single-determinant approximation of Kaplan and Argyres, Ann. Phys. 92, 1-24 (1975); and the first-order finite-temperature many-body perturbation theory based on a zero-temperature or thermal HF reference. Thermal full-configuration-interaction theory is used as the benchmark.

The Journal of Chemical PhysicsVol. 161(21)
University of Illinois Urbana-Champaign (US)
John Simon Guggenheim Memorial Foundation, Basic Energy Sciences, Chemical Sciences, Geosciences, and Biosciences Division
Openalex Percentile: Top 31%
Physics of Superconductivity and Magnetism
0.62
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