The Cotton-Mouton effect of gaseous N-2, CO, CO2, N2OOCS and CS2: a density functional approach to high-order mixed electric and magnetic properties

摘要

The static hypermagnetizability anisotropies of NT2, CO, CO2, N2O, OCS and CS2 are computed using density functional theory (DFT). Also, the anisotropy of the electric dipole polarizability at a wavelength of 632.8 nm and that of the magnetizability are obtained. We can thus compare the temperature dependence of the Cotton-Mouton constant for all six molecules to the results of previous ab initio studies and to those of the experimental study by Kling and Huttner [Chem. Phys. Lett. 90 (1984) 207]. The agreement is satisfactory. (C) 2001 Elsevier Science B.V. All rights reserved. [References: 33]