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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Veröffentlicht in:The Journal of chemical physics 2024-08, Vol.161 (6)
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
Schlagworte:
Electronic structure
Molecular structure
Quantum chemistry
Rapid prototyping
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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.
ISSN:0021-9606
1089-7690
1089-7690
DOI:10.1063/5.0216512