K. Ruud et al., Vibrational effects on electric and magnetic susceptibilities: applicationto the properties of the water molecule, PHYS CHEM P, 2(10), 2000, pp. 2161-2171
We present perturbation theory expressions for the pure vibrational contrib
utions to the hypermagnetizability. These expressions are complete to secon
d order in perturbation theory and include contributions from third derivat
ives of the properties and the quartic force constants. We calculate zero-p
oint vibrational and pure vibrational effects on the polarizability, magnet
izability and hypermagnetizability of the water molecule, and discuss the e
ffects of nuclear motion on the Cotton-Mouton constant of water in the gas
phase. This is the first investigation of vibrational effects on the hyperm
agnetizability of a polyatomic molecule.