Correlated pair ansatz with a binary tree structure
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arXiv
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| Autores principales: | , , , , |
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| Formato: | Preprint |
| Publicado: |
2023
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| Materias: | |
| Acceso en línea: | |
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| _version_ | 1866913247407374336 |
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| author | Dutta, Rishab Gao, Fei Khamoshi, Armin Henderson, Thomas M. Scuseria, Gustavo E. |
| author_facet | Dutta, Rishab Gao, Fei Khamoshi, Armin Henderson, Thomas M. Scuseria, Gustavo E. |
| contents | We develop an efficient algorithm to implement the recently introduced binary tree state (BTS) ansatz on a classical computer. BTS allows a simple approximation to permanents arising from the computationally intractable antisymmetric product of interacting geminals and respects size-consistency. We show how to compute BTS overlap and reduced density matrices efficiently. We also explore two routes for developing correlated BTS approaches: Jastrow coupled cluster on BTS and linear combinations of BT states. The resulting methods show great promise in benchmark applications to the reduced Bardeen-Cooper-Schrieffer Hamiltonian and the one-dimensional XXZ Heisenberg Hamiltonian. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2310_20076 |
| institution | arXiv |
| publishDate | 2023 |
| record_format | arxiv |
| spellingShingle | Correlated pair ansatz with a binary tree structure Dutta, Rishab Gao, Fei Khamoshi, Armin Henderson, Thomas M. Scuseria, Gustavo E. Chemical Physics Strongly Correlated Electrons We develop an efficient algorithm to implement the recently introduced binary tree state (BTS) ansatz on a classical computer. BTS allows a simple approximation to permanents arising from the computationally intractable antisymmetric product of interacting geminals and respects size-consistency. We show how to compute BTS overlap and reduced density matrices efficiently. We also explore two routes for developing correlated BTS approaches: Jastrow coupled cluster on BTS and linear combinations of BT states. The resulting methods show great promise in benchmark applications to the reduced Bardeen-Cooper-Schrieffer Hamiltonian and the one-dimensional XXZ Heisenberg Hamiltonian. |
| title | Correlated pair ansatz with a binary tree structure |
| topic | Chemical Physics Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2310.20076 |