ELECTRICAL ANHARMONICITY iN VIBRATING SYSTEMS CONTAINING MECHANICAL ANHARMONICITY DUE TO THE RELAXATION OF THE MOLECULAR ELECTRONIC CHARGE DISTRIBUTION
نویسنده
چکیده
Several investigations have correlated the shape of the molecular vibrational potential surface with the properties of the relaxation of the molecular electronic charge distribution on vibration [l, 21. In this communication we look at the contribution tc the intensity of i&a-red absorption bands from this source by calculating that part of the dipole moment due to the relaxation of the electronic distribution, on vibration, as a function of Si, the ith vibrational coordinate of the molecule. We expand the electronic-hamiltonian in the usual way
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