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Semiclassical molecular dynamics computation of spontaneous light emission in the condensed phase: Resonance Raman spectra
 

Summary: Semiclassical molecular dynamics computation of spontaneous light
emission in the condensed phase: Resonance Raman spectra
M. Ovchinnikov
Department of Chemistry and Henry Eyring Center for Theoretical Chemistry, 315 South 1400 East Room
2020, University of Utah, Salt Lake City, Utah 84112-0850
V. A. Apkarian
Department of Chemistry, University of California, Irvine, California 92697-2025
Gregory A. Voth
Department of Chemistry and Henry Eyring Center for Theoretical Chemistry, 315 South 1400 East Room
2020, University of Utah, Salt Lake City, Utah 84112-0850
Received 22 September 2000; accepted 30 January 2001
The three-time correlation function that describes resonance Raman RR spectra is computed
directly using the Herman­Kluk semiclassical propagator. The trace expression for this correlation
function C(t1 ,t2 ,t3) Tr e H^
e iH^
g(t1 t2)
e iH^
et3e iH^
g(t2 t3)
e iH^

  

Source: Apkarian, V. Ara - Department of Chemistry, University of California, Irvine

 

Collections: Chemistry