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

The static hypermagnetizability anisotropies of NT2, CO, CO2, N2O, OCS and CS2 are computed using density functional theory (DFT). Also, the anisotrop y of the electric dipole polarizability at a wavelength of 632.8 nm and tha t of the magnetizability are obtained. We can thus compare the temperature dependence of the Cotton-Mouton constant for all six molecules to the resul ts 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 satis factory. (C) 2001 Elsevier Science B.V. All rights reserved.