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Titolo:
Dissipative wave-packet dynamics and electron transfer
Autore:
Lucke, A; Ankerhold, J;
Indirizzi:
Univ Freiburg, Fak Phys, D-79104 Freiburg, Germany Univ Freiburg Freiburg Germany D-79104 k Phys, D-79104 Freiburg, Germany
Titolo Testata:
JOURNAL OF CHEMICAL PHYSICS
fascicolo: 10, volume: 115, anno: 2001,
pagine: 4696 - 4707
SICI:
0021-9606(20010908)115:10<4696:DWDAET>2.0.ZU;2-8
Fonte:
ISI
Lingua:
ENG
Soggetto:
PHOTOSYNTHETIC REACTION CENTERS; BACTERIAL REACTION CENTERS; REDUCED DENSITY-MATRICES; COHERENT NUCLEAR MOTION; QUANTUM TIME EVOLUTION; VIBRATIONAL COHERENCE; RHODOBACTER-SPHAEROIDES; TENSOR PROPAGATOR; SYSTEM; SPECTROSCOPY;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Physical, Chemical & Earth Sciences
Citazioni:
41
Recensione:
Indirizzi per estratti:
Indirizzo: Ankerhold, J Univ Freiburg, Fak Phys, Hermann Herder Str 3, D-79104 Freiburg, Germany Univ Freiburg Hermann Herder Str 3 Freiburg Germany D-79104
Citazione:
A. Lucke e J. Ankerhold, "Dissipative wave-packet dynamics and electron transfer", J CHEM PHYS, 115(10), 2001, pp. 4696-4707

Abstract

Coherent wave-packet dynamics on coupled electronic surfaces within a condensed-phase environment is studied. Based on a path integral approach, exact expressions for the case of a one-dimensional reaction coordinate in a donor-acceptor complex are derived. The path integrals over the electronic degree of freedom are further evaluated by applying the golden rule approximation. This procedure allows for an exact treatment of the coupling between solvent or residual molecular degrees of freedom and the reaction coordinate. A detailed picture of the intimate relation between dissipative wave-packet motion and electron transfer is gained also for lower temperatures, strong coupling and slow bath modes, where Redfield type of equations cannot be used. The electron transfer triggered by the coherent vibronic motion leads to a stepwise decay of the population in the donor state. On the acceptor surface the wave-packet dynamics displays a complex interference pattern. Further, it turns out that for a reaction coordinate fast compared to the environmental modes the electronic population dynamics is very sensitive tothe initial correlations between bath and reactive mode. (C) 2001 AmericanInstitute of Physics.

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Documento generato il 28/11/20 alle ore 04:28:16