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| Main Author: | |
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| Format: | Preprint |
| Published: |
2024
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| Subjects: | |
| Online Access: | https://arxiv.org/abs/2412.11029 |
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| _version_ | 1866915085637648384 |
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| author | Wang, Cong |
| author_facet | Wang, Cong |
| contents | This is a continuation of the previous work (arXiv:2403.10128). Additional aspects such as linear combinations of projections and hash-table canonicalizations are described. Implementations of the general-order partial-spin adaptation (PSA) coupled-cluster (CC) method are outlined. Numerical results are reported. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2412_11029 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | General-order open-shell coupled-cluster method with partial-spin adaptation II: further formulations, simplifications, implementations, and numerical results Wang, Cong Chemical Physics This is a continuation of the previous work (arXiv:2403.10128). Additional aspects such as linear combinations of projections and hash-table canonicalizations are described. Implementations of the general-order partial-spin adaptation (PSA) coupled-cluster (CC) method are outlined. Numerical results are reported. |
| title | General-order open-shell coupled-cluster method with partial-spin adaptation II: further formulations, simplifications, implementations, and numerical results |
| topic | Chemical Physics |
| url | https://arxiv.org/abs/2412.11029 |