Forte: A Suite of Advanced Multireference Quantum Chemistry Methods
Fuente:
arXiv
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| Main Authors: | , , , , , , , , , , , , , , , , |
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| Format: | Preprint |
| Published: |
2024
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| Subjects: | |
| Online Access: | |
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| _version_ | 1866916249529745408 |
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| author | Evangelista, Francesco A. Li, Chenyang Verma, Prakash Hannon, Kevin P. Schriber, Jeffrey B. Zhang, Tianyuan Cai, Chenxi Wang, Shuhe He, Nan Stair, Nicholas H. Huang, Meng Huang, Renke Misiewicz, Jonathon P. Li, Shuhang Marin, Kevin Zhao, Zijun Burns, Lori A. |
| author_facet | Evangelista, Francesco A. Li, Chenyang Verma, Prakash Hannon, Kevin P. Schriber, Jeffrey B. Zhang, Tianyuan Cai, Chenxi Wang, Shuhe He, Nan Stair, Nicholas H. Huang, Meng Huang, Renke Misiewicz, Jonathon P. Li, Shuhang Marin, Kevin Zhao, Zijun Burns, Lori A. |
| contents | Forte is an open-source library specialized in multireference electronic structure theories for molecular systems and the rapid prototyping of new methods. This paper gives an overview of the capabilities of Forte, its software architecture, and examples of applications enabled by the methods it implements. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2405_10197 |
| institution | arXiv |
| publishDate | 2024 |
| record_format | arxiv |
| spellingShingle | Forte: A Suite of Advanced Multireference Quantum Chemistry Methods Evangelista, Francesco A. Li, Chenyang Verma, Prakash Hannon, Kevin P. Schriber, Jeffrey B. Zhang, Tianyuan Cai, Chenxi Wang, Shuhe He, Nan Stair, Nicholas H. Huang, Meng Huang, Renke Misiewicz, Jonathon P. Li, Shuhang Marin, Kevin Zhao, Zijun Burns, Lori A. Chemical Physics Forte is an open-source library specialized in multireference electronic structure theories for molecular systems and the rapid prototyping of new methods. This paper gives an overview of the capabilities of Forte, its software architecture, and examples of applications enabled by the methods it implements. |
| title | Forte: A Suite of Advanced Multireference Quantum Chemistry Methods |
| topic | Chemical Physics |
| url | https://arxiv.org/abs/2405.10197 |