Forte：一套先进的多参考量子化学方法。
Forte: A suite of advanced multireference quantum chemistry methods.
作者信息
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
机构信息
Department of Chemistry and Cherry Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia 30322, USA.
Key Laboratory of Theoretical and Computational Photochemistry, Ministry of Education, College of Chemistry, Beijing Normal University, Beijing 100875, China.
出版信息
J Chem Phys. 2024 Aug 14;161(6). doi: 10.1063/5.0216512.
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.
Forte是一个开源库，专门用于分子系统的多参考电子结构理论以及新方法的快速原型设计。本文概述了Forte的功能、其软件架构以及由它所实现的方法促成的应用示例。
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