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.
Authors
- So Hirata (ORCID: https://orcid.org/0000-0002-9578-1502)
- Pinhao Gu
Institutions
- University of Illinois Urbana-Champaign (US)
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
Funders
- John Simon Guggenheim Memorial Foundation
- Basic Energy Sciences
- Chemical Sciences, Geosciences, and Biosciences Division