Vibrational energy relaxation rate constants from linear response theory

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چکیده

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Vibrational energy relaxation rate constants from linear response theory

A new approach for the calculation of vibrational energy relaxation rate constants is introduced. The new approach is based on linear response theory, and is shown to have several distinct advantages over the standard Landau–Teller formula, which is based on the Bloch–Redfield theory, namely: ~1! weak system–bath coupling is not assumed; ~2! selectivity in choosing the vibrational energy relaxa...

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ژورنال

عنوان ژورنال: The Journal of Chemical Physics

سال: 2003

ISSN: 0021-9606

DOI: 10.1063/1.1562611