Forte: A Suite of Advanced Multireference Quantum Chemistry Methods

Forte: A Suite of Advanced Multireference Quantum Chemistry Methods

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 imp...

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Hauptverfasser: 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
Format: Artikel
Sprache:eng
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Physics - Chemical Physics
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Beschreibung
Zusammenfassung: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.
DOI:10.48550/arxiv.2405.10197