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Journal of Computational Chemistry|June 29, 2019
Nine questions on energy decomposition analysisJuan Andrés, Paul W Ayers, Roberto A Boto, et al.The Journal of Chemical Physics|June 26, 2024
Softmax parameterization of the occupation numbers for natural orbital functionals based on electron pairing approachesLizeth Franco, Iván A Bonfil-Rivera, Juan Felipe Huan Lew-Yee, et al.The Journal of Chemical Physics|June 3, 2024
Alternative CNDOL Fockians for fast and accurate description of molecular exciton propertiesLuis A Montero-Cabrera, Ana L Montero-Alejo, Alan Aspuru-Guzik, et al.Pageof 19