Computational formulas of the semiempirical theory of intensities in harmonic spectroscopy

A procedure is presented for obtaining computational formulas of the semiempirical theory of intensities within the framework of the vibrational-rotational model of a rigid polyatomic molecule, using the natural vibrational coordinates to describe the nuclear subsystem. An analysis is made of the contribution of the mechanical, kinematic, and electrooptical anharmonicity and vibrational-rotational interaction to the computational formula of harmonic spectroscopy. The mathematical tools of tensor analysis were used to describe the intramolecular dynamics. Saratov State Technical University. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 2, p. 59–64, February, 1998.