Forte: A Suite of Advanced Multireference Quantum Chemistry Methods
Francesco A. Evangelista, Chenyang Li, Prakash Verma, Kevin P. Hannon,, Jeffrey B. Schriber, Tianyuan Zhang, Chenxi Cai, Shuhe Wang, Nan He, Nicholas, H. Stair, Meng Huang, Renke Huang, Jonathon P. Misiewicz, Shuhang Li, Kevin, Marin, Zijun Zhao, Lori A. Burns
TL;DR
Forte is an open-source software library that provides advanced multireference quantum chemistry methods, enabling rapid development and application of complex electronic structure calculations for molecular systems.
Contribution
The paper introduces Forte, a new software suite that supports multireference electronic structure theories with a flexible architecture for method development.
Findings
Demonstrates Forte's capabilities through example applications.
Highlights Forte's modular architecture for rapid prototyping.
Showcases the library's suitability for complex molecular systems.
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.
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Taxonomy
TopicsMolecular spectroscopy and chirality