M. Jaszunski et al., Coupled-cluster calculation of dispersion contributions to interaction energies and polarizabilities, THEOR CH AC, 106(4), 2001, pp. 251-258
The induced dipole dispersion-type contributions to the two-body and nonadd
itive three-body energies and electric dipole polarizabilities are studied
for long-range interactions involving the He, Ne, Ar and Kr atoms and the H
-2 and N-2 molecules. The coupled-cluster singles and doubles model and lar
ge basis sets are used. Comparison of the energy contributions with data de
rived from experiment shows in most cases the deviations to be less than 1%
; therefore, it may be expected that the calculated polarizability incremen
ts are accurately determined and can be used to estimate the accuracy of ap
proximate methods.