Year: 2024
Type: article
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.
Source: The Journal of Chemical Physics
DOI: 10.1063/5.0235259
Authors: Pinhao Gu, So Hirata
Institution: University of Illinois Urbana-Champaign
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
Awards: G1538971976, NEW; BREAKTHROUGH DESIGN AND IMPLEMENTATION OF ELECTRONIC AND VIBRATIONAL MANY-BODY THEORIES; PI - SO HIRATA, G1896662581, G2363611138, G5555950369, G726212836, NEW; BREAKTHROUGH DESIGN AND IMPLEMENTATION OF ELECTRONIC AND VIBRATIONAL MANY-BODY THEORIES; PI - SO HIRATA, G8161635410, G84407746
OpenAlex ID: W4404999352