Simultaneous Spin and Point-Group Adaptation in Exact Diagonalization of Spin Clusters
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arXiv
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| Format: | Preprint |
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2025
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| _version_ | 1866915354325811200 |
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| author | Tabrizi, Shadan Ghassemi Kühne, Thomas D. |
| author_facet | Tabrizi, Shadan Ghassemi Kühne, Thomas D. |
| contents | While either spin or point-group adaptation is straightforward when considered independently, the standard technique for factoring isotropic spin Hamiltonians by the total spin S and the irreducible representation of the point-group is limited by the complexity of transformations between different coupling-schemes that are related by site-permutations. To overcome these challenges, we apply projection-operators directly to uncoupled basis-states, enabling the simultaneous treatment of spin and point-group symmetry without the need for recoupling-transformations. This provides a simple and efficient approach for the exact diagonalization of isotropic spin-models that we illustrate with applications to Heisenberg spin-rings and polyhedra, including systems that are computationally inaccessible with conventional coupling-techniques. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2501_01160 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Simultaneous Spin and Point-Group Adaptation in Exact Diagonalization of Spin Clusters Tabrizi, Shadan Ghassemi Kühne, Thomas D. Strongly Correlated Electrons While either spin or point-group adaptation is straightforward when considered independently, the standard technique for factoring isotropic spin Hamiltonians by the total spin S and the irreducible representation of the point-group is limited by the complexity of transformations between different coupling-schemes that are related by site-permutations. To overcome these challenges, we apply projection-operators directly to uncoupled basis-states, enabling the simultaneous treatment of spin and point-group symmetry without the need for recoupling-transformations. This provides a simple and efficient approach for the exact diagonalization of isotropic spin-models that we illustrate with applications to Heisenberg spin-rings and polyhedra, including systems that are computationally inaccessible with conventional coupling-techniques. |
| title | Simultaneous Spin and Point-Group Adaptation in Exact Diagonalization of Spin Clusters |
| topic | Strongly Correlated Electrons |
| url | https://arxiv.org/abs/2501.01160 |