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Semiclassical theory of vibrational energy relaxation

Chemical Physics 2009-10-30 v1

Abstract

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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Cite

@article{arxiv.physics/9711028,
  title  = {Semiclassical theory of vibrational energy relaxation},
  author = {Robert Karrlein and Hermann Grabert},
  journal= {arXiv preprint arXiv:physics/9711028},
  year   = {2009}
}

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