Biology – Quantitative Biology – Biomolecules
Scientific paper
2006-01-21
Biology
Quantitative Biology
Biomolecules
16 pages, 5 figures, 5 tables, submitted to J. Chem. Phys
Scientific paper
10.1063/1.2191038
Without invoking the Markov approximation, we derive formulas for vibrational energy relaxation (VER) and dephasing for an anharmonic system oscillator using a time-dependent perturbation theory. The system-bath Hamiltonian contains more than the third order coupling terms since we take a normal mode picture as a zeroth order approximation. When we invoke the Markov approximation, our theory reduces to the Maradudin-Fein formula which is used to describe VER properties of glass and proteins. When the system anharmonicity and the renormalization effect due to the environment vanishes, our formulas reduce to those derived by Mikami and Okazaki invoking the path-integral influence functional method [J. Chem. Phys. 121 (2004) 10052]. We apply our formulas to VER of the amide I mode of a small amino-acide like molecule, N-methylacetamide, in heavy water.
Fujisaki Hiroshi
Straub John E.
Zhang Yong
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