A study of the effect of circularly polarized light on NMF spectra and related properties of CS2

In a recent paper Buckingham and Parlett (1997, Molec. Phys., 91, 805) have shown that circularly polarized light produces an induced magnetic moment (in the inverse Faraday effect), and a magnetic field, whose intensity at the nucleus K can be expressed in terms of a frequency dependent quadratic response function, b (K) (ω). We present ab initio calculations of this property. The effect of circularly polarized light on the chemical shielding of 13C and 33S in carbon disulphide is studied within the multiconfigurational SCF response approach. We discuss also the frequency dependence of the Verdet constant, V(ω). The ratio of the averaged b (K) (ω) to α′ (B (0), ω)—which describes the effect of the magnetic field upon the antisymmetric polarizability α′ (ω) and is proportional to V(ω)—is computed, and compared to the ratio of the paramagnetic nuclear shielding constant and the paramagnetic magnetizability, to ascertain the accuracy of the approximate relationship given by Buckingham and Parlett.