Separation of vibrational-electronic Hamiltonian in crude representation |
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| Authors: | Michal Svrček Ivan Hubač |
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| Affiliation: | (1) Institute of Physics of the Electro-Physical Research Centre, Slovak Academy of Sciences, DÚbravská cesta 9, 842 28 Bratislava, Czechoslovakia;(2) Department of Biophysics and Chemical Physics, Faculty of Mathematics and Physics, Comenius University, 842 15 Bratislava, Czechoslovakia |
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| Abstract: | A separation of the vibrational-electronic Hamiltonian in crude representation is presented. The separation is done in the following way: first we quantize only the electronic states on the unperturbed Hamiltonian level, then using the perturbation theory, we treat the terms where we have electronic operators to obtain new harmonic potential energy. Then we quantize a-posteriori the nuclear motion and as a result the only perturbation term is due to anharmonicity. |
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