H-wave -- A Python package for the Hartree-Fock approximation and the random phase approximation
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arXiv
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| Auteurs principaux: | , , , , , , , |
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| Format: | Preprint |
| Publié: |
2023
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| _version_ | 1866929230517895168 |
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| author | Aoyama, Tatsumi Yoshimi, Kazuyoshi Ido, Kota Motoyama, Yuichi Kawamura, Taiki Misawa, Takahiro Kato, Takeo Kobayashi, Akito |
| author_facet | Aoyama, Tatsumi Yoshimi, Kazuyoshi Ido, Kota Motoyama, Yuichi Kawamura, Taiki Misawa, Takahiro Kato, Takeo Kobayashi, Akito |
| contents | H-wave is an open-source software package for performing the Hartree--Fock approximation (HFA) and random phase approximation (RPA) for a wide range of Hamiltonians of interacting fermionic systems. In HFA calculations, H-wave examines the stability of several symmetry-broken phases, such as anti-ferromagnetic and charge-ordered phases, in the given Hamiltonians at zero and finite temperatures. Furthermore, H-wave calculates the dynamical susceptibilities using RPA to examine the instability toward the symmetry-broken phases. By preparing a simple input file for specifying the Hamiltonians, users can perform HFA and RPA for standard Hamiltonians in condensed matter physics, such as the Hubbard model and its extensions. Additionally, users can use a Wannier90-like format to specify fermionic Hamiltonians. A Wannier90 format is implemented in RESPACK to derive ab initio Hamiltonians for solids. HFA and RPA for the ab initio Hamiltonians can be easily performed using H-wave. In this paper, we first explain the basis of HFA and RPA, and the basic usage of H-wave, including download and installation. Thereafter, the input file formats implemented in H-wave, including the Wannier90-like format for specifying the interacting fermionic Hamiltonians, are discussed. Finally, we present several examples of H-wave such as zero-temperature HFA calculations for the extended Hubbard model on a square lattice, finite-temperature HFA calculations for the Hubbard model on a cubic lattice, and RPA in the extended Hubbard model on a square lattice. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2308_00324 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | H-wave -- A Python package for the Hartree-Fock approximation and the random phase approximation Aoyama, Tatsumi Yoshimi, Kazuyoshi Ido, Kota Motoyama, Yuichi Kawamura, Taiki Misawa, Takahiro Kato, Takeo Kobayashi, Akito Strongly Correlated Electrons H-wave is an open-source software package for performing the Hartree--Fock approximation (HFA) and random phase approximation (RPA) for a wide range of Hamiltonians of interacting fermionic systems. In HFA calculations, H-wave examines the stability of several symmetry-broken phases, such as anti-ferromagnetic and charge-ordered phases, in the given Hamiltonians at zero and finite temperatures. Furthermore, H-wave calculates the dynamical susceptibilities using RPA to examine the instability toward the symmetry-broken phases. By preparing a simple input file for specifying the Hamiltonians, users can perform HFA and RPA for standard Hamiltonians in condensed matter physics, such as the Hubbard model and its extensions. Additionally, users can use a Wannier90-like format to specify fermionic Hamiltonians. A Wannier90 format is implemented in RESPACK to derive ab initio Hamiltonians for solids. HFA and RPA for the ab initio Hamiltonians can be easily performed using H-wave. In this paper, we first explain the basis of HFA and RPA, and the basic usage of H-wave, including download and installation. Thereafter, the input file formats implemented in H-wave, including the Wannier90-like format for specifying the interacting fermionic Hamiltonians, are discussed. Finally, we present several examples of H-wave such as zero-temperature HFA calculations for the extended Hubbard model on a square lattice, finite-temperature HFA calculations for the Hubbard model on a cubic lattice, and RPA in the extended Hubbard model on a square lattice. |
| title | H-wave -- A Python package for the Hartree-Fock approximation and the random phase approximation |
| topic | Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2308.00324 |