<scp>Forte</scp>: 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, Z. Zhao, Lori A. Burns
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.
Topics & Concepts
SuiteComputer scienceSoftwareQuantum chemistryComputer architectureComputational scienceElectronic structureChemistryComputational chemistryMoleculeOperating systemOrganic chemistrySupramolecular chemistryHistoryArchaeologyAdvanced Chemical Physics StudiesSpectroscopy and Quantum Chemical StudiesPhotochemistry and Electron Transfer Studies