ANISOTROPIC AND ISOTROPIC TRIPLE-DIPOLE DISPERSION ENERGY COEFFICIENTS FOR ALL 3-BODY INTERACTIONS INVOLVING HE, NE, AR, KR, XE, H-2, N-2, AND CO

Citation
Sac. Mcdowell et al., ANISOTROPIC AND ISOTROPIC TRIPLE-DIPOLE DISPERSION ENERGY COEFFICIENTS FOR ALL 3-BODY INTERACTIONS INVOLVING HE, NE, AR, KR, XE, H-2, N-2, AND CO, Canadian journal of chemistry, 74(6), 1996, pp. 1180-1186
Citations number
44
Categorie Soggetti
Chemistry
ISSN journal
00084042
Volume
74
Issue
6
Year of publication
1996
Pages
1180 - 1186
Database
ISI
SICI code
0008-4042(1996)74:6<1180:AAITDE>2.0.ZU;2-R
Abstract
Formulae for the computation of isotropic and anisotropic dipolar disp ersion energy coefficients, for two-body and three-body interactions i nvolving H-2, N-2, CO, and the rare gases, are presented in an average energy approximation. These coefficients are computed to within 1% of the reliable values for these coefficients, which are obtained by usi ng the relevant dipole oscillator strength distributions, with the exc eption of a few that are recorded in tabular form. The input data requ ired for these formulae are the isotropic and anisotropic polarizabili ties and average energies for the interacting species. The results pro vide the first reliable anisotropic triple-dipole dispersion energy co efficients for interactions involving molecules.