Raman intensities and cartesian polarizability derivatives

Abstract

Cartesian polarizability derivatives are defined as derivatives of the molecular polarizability with respect to the displacement of an atom in a space-fixed axis system. These derivatives are used to describe the intensity of molecular vibrational and rotational Raman scattering. The number of independent derivatives is easily determined and is shown to equal the number of intensity parameters which may be obtained from experiment. The cartesian polarizability derivatives thus form a complete, minimal set of parameters for describing Raman intensities.