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Thermal mean-field theories.

Authors :
Gu, Pinhao
Hirata, So
Source :
Journal of Chemical Physics. 12/7/2024, Vol. 161 Issue 21, p1-12. 12p.
Publication Year :
2024

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. [ABSTRACT FROM AUTHOR]

Subjects

Subjects :
*PERTURBATION theory
*FERMIONS

Details

Language :
English
ISSN :
00219606
Volume :
161
Issue :
21
Database :
Academic Search Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
182191797
Full Text :
https://doi.org/10.1063/5.0235259