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
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.