Thermal mean-field theories
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arXiv
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| Main Authors: | , |
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| Format: | Preprint |
| Published: |
2024
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| _version_ | 1866916362527440896 |
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| author | Gu, Pinhao Hirata, So |
| author_facet | Gu, Pinhao Hirata, So |
| contents | 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. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2407_11508 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Thermal mean-field theories Gu, Pinhao Hirata, So Statistical Mechanics Chemical Physics 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. |
| title | Thermal mean-field theories |
| topic | Statistical Mechanics Chemical Physics |
| url | https://arxiv.org/abs/2407.11508 |