A compact formulation for the bond-polarizability theory of the Raman effect

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Abstract
A compact formulation for the computation of the Raman tensors of vibrating molecules as a function of bond polarizabilities is presented. This formulation is conceptually clearer than those given previously and also very convenient for the numerical computation of Raman intensities. The Raman tensors of the vibrational modes are expressed here in terms of the B, G and L matrices of the well-known Wilson FG method, in combination with the electro-optical parameters of the bonds. The computational steps are illustrated for the AB2 bent molecule. A relationship between Raman intensities and elements of the L matrix is derived for this molecule.

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