Semiclassical theory of vibrational energy relaxation

Details Semiclassical theory of vibrational energy relaxation Semiclassical theory of vibrational energy relaxation

1997-11-28

arxiv.org/abs/physics/9711028v1

Physics

Chemical Physics

See also at http://vesta.physik.uni-freiburg.de/www/dqs/sfb.html

Scientific paper

10.1063/1.475906

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 potentials.

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