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American Institute of Physics, The Journal of Chemical Physics, 12(110), p. 5851

DOI: 10.1063/1.478484

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Coherent nuclear motion in a condensed-phase environment: Wave-packet approach and pump-probe spectroscopy

Journal article published in 1999 by Lothar Mühlbacher, Andreas Lucke, Reinhold Egger ORCID
This paper is available in a repository.
This paper is available in a repository.

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Abstract

A quantum-mechanical Gaussian wave-packet approach to the theoretical description of nuclear motions in a condensed-phase environment is developed. General expressions for the time-dependent reduced density matrix are given for a harmonic potential surface, and the exact quantum dynamics is found for a microscopic system-plus-bath model. Particular attention is devoted to the influence of initial correlations between system and bath for the outcome of a pump-probe experiment. We show that the standard factorized preparation, compared to a more realistic correlated preparation, leads to significantly different stimulated emission spectra at high temperatures. Recent experiments for the reaction center are analyzed using this formalism. ; Comment: 12 page, 13 figures