Method for Slater-Type Density Fitting for Intermolecular Electrostatic Interactions with Charge Overlap. I. The Model
Author:
Affiliation:
1. Department of Theoretical Chemistry, Chemical Centre, P.O. Box 124, S-221 00 Lund, Sweden
2. Departamento de Química Física, Facultade de Química, Universidade de Vigo, 36310 Vigo, Spain
Funder
Vetenskapsr?det
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.5b01155
Reference90 articles.
1. Charge overlap effects and the validity of the multipole results for first-order molecule-molecule interaction energies. Formalism and an application to H2-H2
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3. Charge overlap effects and the validity of the multipole results for first-order molecule-molecule intermolecular forces using pair interactions involving the ground state H2, N2, CO2, HF and LiH molecules as models
4. A quntitative demonstration of the domain of convergence of multipole representations of molecular potentials
5. Multipole expansions of the electrostatic molecular potential
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