FREQUENCY-DEPENDENT POLARIZABILITIES OF O-2 AND VAN-DER-WAALS COEFFICIENTS OF DIMERS CONTAINING O-2

Authors
HETTEMA H WORMER PES JORGENSEN P JENSEN HJA HELGAKER T
Citation
H. Hettema et al., FREQUENCY-DEPENDENT POLARIZABILITIES OF O-2 AND VAN-DER-WAALS COEFFICIENTS OF DIMERS CONTAINING O-2, The Journal of chemical physics, 100(2), 1994, pp. 1297-1302
Citations number
40
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
The Journal of chemical physics → ACNP
ISSN journal
00219606
Volume
100
Issue
2
Year of publication
1994
Pages
1297 - 1302
Database
ISI
SICI code
0021-9606(1994)100:2<1297:FPOOAV>2.0.ZU;2-1
Abstract
We report frequency-dependent dipole and quadrupole polarizabilities o f the oxygen molecule in its (3) Sigma(g)(-) ground state. These prope rties are obtained by means of the multiconfiguration self-consistent field method and used for the computation of the van der Waals coeffic ients of (O-2)(2) and the O-2-Rg dimers, where Rg is He, Ne, Ar, and K r. The required frequency-dependent polarizabilities of the rare gases were computed earlier by means of second-order many body perturbation theory.