Simplified time-dependent self-consistent field approximation for intramolecular dynamics |
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| Authors: | R.B. Gerber M.A. Ratner V. Buch |
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| Affiliation: | Department of Chemistry, Northwestern University, Evanston, Illinois 60201, USA |
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| Abstract: | The time-dependent Hartree approximation is applied to intramolecular dynamics of polyatomics with smooth, locally quadratic potential surfaces. It is shown that the full quantum solution is obtained from a certain single self-consistent trajectory. An extremely simple model results, pertinent to intramolecular energy transfer, vibrational lineshapes and unimolecular decay. |
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