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Journal of Chemical Theory and Computation|September 28, 2023
A Perspective on Sustainable Computational Chemistry Software Development and IntegrationRosa Di Felice, Maricris L Mayes, Ryan M Richard, et al.The Journal of Chemical Physics|July 17, 2020
Recent developments in the PySCF program packageQiming Sun, Xing Zhang, Samragni Banerjee, et al.The Journal of Chemical Physics|September 2, 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 packageEvgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng, et al.Pageof 15