Ab initio effective one-electron potential operators: Applications for charge-transfer energy in effective fragment potentials

Bartosz Blasiak, Joanna D. Bednarska, Marta Choluj, Robert W. Góra, Wojciech Bartkowiak. Ab initio effective one-electron potential operators: Applications for charge-transfer energy in effective fragment potentials. Journal of Computational Chemistry, 42(6):398-411, 2021. [doi]

Abstract

Abstract is missing.