Semiclassical theory of vibrational energy relaxation
نویسندگان
چکیده
منابع مشابه
N ov 1 99 7 Semiclassical theory of vibrational energy relaxation
A theory of vibrational energy relaxation based on a semiclassical treatment of the quantum master equation is presented. Using new results on the semiclassical expansion of dipole matrix elements, we show that in the classical limit the master equation reduces to the Zwanzig energy diffusion equation. The leading quantum corrections are determined and discussed for the harmonic and Morse poten...
متن کاملVibrational 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...
متن کاملVibrational energy relaxation in proteins.
An overview of theories related to vibrational energy relaxation (VER) in proteins is presented. VER of a selected mode in cytochrome c is studied by using two theoretical approaches. One approach is the equilibrium simulation approach with quantum correction factors, and the other is the reduced model approach, which describes the protein as an ensemble of normal modes interacting through nonl...
متن کاملRelaxation of vibrational energy in fullerene suspensions
Picosecond transient absorption is used to measure the thermal decay time of a mixture of higher-order fullerenes suspended in chloroform, toluene, and carbon disulfide. The relaxation time is 40 ps, which translates into a small effective interface conductance, G 14 MWm 2 K . Molecular dynamics simulations of a fullerene molecule suspended in octane agree with experiment (G 10 MWm 2 K ) and su...
متن کاملContinuum elastic theory of adsorbate vibrational relaxation
An analytical theory is presented for the damping of low-frequency adsorbate vibrations via resonant coupling to the substrate phonons. The system is treated classically, with the substrate modeled as a semi-infinite elastic continuum and the adsorbate overlayer modeled as an array of point masses connected to the surface by harmonic springs. The theory provides a simple expression for the rela...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 1998
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.475906