dorsal/arxiv
View SchemaTime-dependent perturbation theory for vibrational energy relaxation and dephasing in peptides and proteins
| Authors | Hiroshi Fujisaki, Yong Zhang, John E. Straub |
|---|---|
| Categories | |
| ArXiv ID | q-bio/0601034 |
| URL | https://arxiv.org/abs/q-bio/0601034 |
| DOI | 10.1063/1.2191038 |
Abstract
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.
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"abstract": "Without invoking the Markov approximation, we derive formulas for vibrational\nenergy relaxation (VER) and dephasing for an anharmonic system oscillator using\na time-dependent perturbation theory. The system-bath Hamiltonian contains more\nthan the third order coupling terms since we take a normal mode picture as a\nzeroth order approximation. When we invoke the Markov approximation, our theory\nreduces to the Maradudin-Fein formula which is used to describe VER properties\nof glass and proteins. When the system anharmonicity and the renormalization\neffect due to the environment vanishes, our formulas reduce to those derived by\nMikami and Okazaki invoking the path-integral influence functional method [J.\nChem. Phys. 121 (2004) 10052]. We apply our formulas to VER of the amide I mode\nof a small amino-acide like molecule, N-methylacetamide, in heavy water.",
"arxiv_id": "q-bio/0601034",
"authors": [
"Hiroshi Fujisaki",
"Yong Zhang",
"John E. Straub"
],
"categories": [
"q-bio.BM"
],
"doi": "10.1063/1.2191038",
"title": "Time-dependent perturbation theory for vibrational energy relaxation and dephasing in peptides and proteins",
"url": "https://arxiv.org/abs/q-bio/0601034"
},
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