Adiabatic perturbation theory for Van der Waals coefficients

Authors
Gorling, A Heinze, HH Levy, M
Citation
A. Gorling et al., Adiabatic perturbation theory for Van der Waals coefficients, J MOL ST-TH, 501, 2000, pp. 271-276
Citations number
31
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
ISSN journal
01661280 → ACNP
Volume
501
Year of publication
2000
Pages
271 - 276
Database
ISI
SICI code
0166-1280(20000428)501:<271:APTFVD>2.0.ZU;2-T
Abstract
The leading contribution to the Van der Waals Cg coefficient in an expansio n with respect to the coupling strengths of the electrons is derived in ter ms of the Kohn-Sham (KS) orbitals and eigenvalues, and evaluated for noble gases and small molecules. (C) 2000 Published by Elsevier Science B.V. All rights reserved.