1. Forte: A suite of advanced multireference quantum chemistry methods.
- Author
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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, and Burns, Lori A.
- Subjects
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MOLECULAR structure , *MOLECULAR theory , *QUANTUM chemistry , *RAPID prototyping , *ELECTRONIC structure - Abstract
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. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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