期刊
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
卷 90, 期 2, 页码 759-771出版社
WILEY
DOI: 10.1002/qua.945
关键词
density operator; dissipative dynamics; Wigner transform; Lindblad; femtosecond photodesorption
The dynamics of a many-atom system are described in terms of the density operator solution of the Liouville-von Neumann equation, for either isolated or dissipative (open) conditions. The treatment introduces a partial Wigner transform of the density operator of the isolated system or of a primary region of interest, respectively, classifying degrees of freedom as quantal or quasi-classical. A secondary region (the medium) is treated as a stochastic environment leading to a dissipative dynamics of the primary region. Dissipative phenomena are described in terms of dissipative potentials and rate operators. The quantum and quasi-classical degrees of freedom can be identified with the electronic and nuclear variables of a many-atom system to provide a description of electronic rearrangement and excitations during dissipative phenomena. (C) 2002 Wiley Periodicals, Inc.
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