\textit{PotLib 2023}: new version of a potential energy surface library for chemical systems
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Publication:6086766
DOI10.1016/J.CPC.2023.108937MaRDI QIDQ6086766
Joaquin Espinosa-Garcia, Zoltán Varga, Yinan Shu, Ahren Jasper, Jose C. Corchado, Donald G. Truhlar
Publication date: 10 November 2023
Published in: Computer Physics Communications (Search for Journal in Brave)
potential energy functionsadiabatic potential energy surfacesdiabatic potential energy matricesnonadiabatic couplings
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