Journal of Chemical Physics, Vol.100, No.2, 1297-1302, 1994
Frequency-Dependent Polarizabilities of O-2 and Van-der-Waals Coefficients of Dimers Containing O-2
We report frequency-dependent dipole and quadrupole polarizabilities of the oxygen molecule in its (3) Sigma(g)(-) ground state. These properties are obtained by means of the multiconfiguration self-consistent field method and used for the computation of the van der Waals coefficients of (O-2)(2) and the O-2-Rg dimers, where Rg is He, Ne, Ar, and Kr. The required frequency-dependent polarizabilities of the rare gases were computed earlier by means of second-order many body perturbation theory.
Keywords:SELF-CONSISTENT FIELD;DISPERSION COEFFICIENTS;VANDERWAALS COEFFICIENTS;MOLECULAR-PROPERTIES;EFFECTIVE STATES;RESPONSE THEORY;N-2;H-2;HE;NE