Thermal mean-field theories
Statistical Mechanics
2024-08-21 v3 Chemical Physics
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, and first-order finite-temperature many-body perturbation theory based on zero-temperature or thermal HF reference. The thermal full-configuration-interaction theory is used as the benchmark.
Keywords
Cite
@article{arxiv.2407.11508,
title = {Thermal mean-field theories},
author = {Pinhao Gu and So Hirata},
journal= {arXiv preprint arXiv:2407.11508},
year = {2024}
}