RELIABLE ANISOTROPIC DIPOLE PROPERTIES AND DISPERSION ENERGY COEFFICIENTS FOR NO, EVALUATED USING CONSTRAINED DIPOLE OSCILLATOR STRENGTH TECHNIQUES

Citation
P. Bundgen et al., RELIABLE ANISOTROPIC DIPOLE PROPERTIES AND DISPERSION ENERGY COEFFICIENTS FOR NO, EVALUATED USING CONSTRAINED DIPOLE OSCILLATOR STRENGTH TECHNIQUES, Molecular physics, 90(5), 1997, pp. 721-728
Citations number
62
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
ISSN journal
00268976
Volume
90
Issue
5
Year of publication
1997
Pages
721 - 728
Database
ISI
SICI code
0026-8976(1997)90:5<721:RADPAD>2.0.ZU;2-K
Abstract
Constrained anisotropic dipole oscillator strength techniques are used to obtain reliable values for a wide range of anisotropic and isotrop ic dipole properties of NO, including most anisotropic components of t he dipole-dipole dispersion energy coefficients for the interaction of NO with NO, O-2, H-2, N-2, CO, He, Ne, Ar, Kr and Xe. Some of the ani sotropic constraints required for our calculations are obtained via di pole sum rules from ab initio, multi-reference configuration interacti on wavefunctions for NO. The individual dipole properties of NO consid ered include the dipole oscillator strength sums S-k, k = 2, 1,0(-1/2) - 2, -3, -4, the logarithmic dipole sums Lk and mean excitation energ ies I-k, k = 2(-1) - 2, and, as a function of wavelength, the dynamic polarizability and its anisotropy, the total depolarizaiton ratio, and the Rayleigh scattering cross-section. Our constrained dipole oscilla tor strength results are often the only reliable, and often the only a vailable, values for many of the properties and dispersion energies co nsidered.