Open AccessImprovement of the Gaussian Electrostatic Model by separate fitting of Coulomb and exchange-repulsion densities and implementation of a new dispersion term
Author(s) -
Sehr Naseem-Khan,
JeanPhilip Piquemal,
G. Andrés Cisneros
Publication year - 2021
Publication title -
journal of chemical physics online/the journal of chemical physics/journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0072380
Subject(s) - coulomb , polarizability , dispersion (optics) , ab initio , gaussian , statistical physics , intermolecular force , electrostatics , work (physics) , charge (physics) , physics , random phase approximation , london dispersion force , chemistry , computational physics , van der waals force , quantum mechanics , molecule , electron