RELIABLE ANISOTROPIC DIPOLE PROPERTIES, AND DISPERSION ENERGY COEFFICIENTS, FOR O-2 EVALUATED USING CONSTRAINED DIPOLE OSCILLATOR STRENGTH TECHNIQUES

Constrained anisotropic dipole oscillator strength techniques are used to obtain reliable values for a wide range of anisotropic and isotrop ic dipole properties of O-2, including the dipole-dipole dispersion en ergy coefficients for the interaction of O-2 with O-2 H-2, N-2, CO, He ,Ne, Ar, Kr, and Xe. Some of the anisotropic constraints required for our calculations are obtained via dipole sum rules from ab initio, mul tireference configuration interaction (CI) wave functions for the grou nd state of O-2. The individual dipole properties of O-2 considered in clude the dipole oscillator strength sums S-k, k=2,1,0(- 1/2)-2,-3,-4, ..., the logarithmic dipole sums L(k) and mean excitation energies I-k , k=2(-1)-2, and, as a function of wavelength, the dynamic polarizabil ity and its anisotropy, the total depolarization ratio, the Rayleigh s cattering cross section, and the Verdet constant. Our constrained dipo le oscillator strength results are often the only reliable, and someti mes the only available, ones for many of the properties and dispersion energies considered. (C) 1996 American Institute of Physics.