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
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.