TITLE

Density functional results for isotropic and anisotropic multipole polarizabilities and C[sub 6],

AUTHOR(S)
Osinga, V.P.; van Gisbergen, S.J.A.
PUB. DATE
March 1997
SOURCE
Journal of Chemical Physics;3/22/1997, Vol. 106 Issue 12, p5091
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Uses time-dependent density functional response theory to obtain the Vander der Waals dispersion coefficients C[sub 6], C[sub 7] and C[sub 8]. Calculation from the multipole polarizabilities at imaginary frequencies of the two interacting molecules; Use of one of the Van der Waals energy functionals for well-separated systems.
ACCESSION #
4180960

 

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