dc.creator | Casado Pascual, Jesús | es |
dc.creator | Denk, Claus | es |
dc.creator | Morillo Buzón, Manuel | es |
dc.creator | Cukier, Robert I. | es |
dc.date.accessioned | 2020-04-29T09:43:00Z | |
dc.date.available | 2020-04-29T09:43:00Z | |
dc.date.issued | 2000-12 | |
dc.identifier.citation | Casado Pascual, J., Denk, C., Morillo Buzón, M. y Cukier, R.I. (2000). Relaxation in charge-transfer systems with very large tunnel splitting: A semiclassical stochastic approach. The Journal of Chemical Physics, 113 (24), 11176-11186. | |
dc.identifier.issn | 0021-9606 | es |
dc.identifier.issn | 1089-7690 | es |
dc.identifier.uri | https://hdl.handle.net/11441/95942 | |
dc.description.abstract | Electron transfer in strongly coupled systems, appropriate to mixed-valence compounds, is studied
to explore the competition between electronic coherence and dissipation. A set of stochastic
equations is derived for a spin-boson Hamiltonian with large tunneling coupling matrix element
~adiabatic regime! and strong system-bath-coupling. The bath dynamics is treated classically while
the quantum character of the system is maintained. The bath dynamics is affected by the system
dynamics, the effect being included by a mean-field description, valid for the adiabatic regime.
Numerical solutions of the stochastic equations are presented and compared with exact quantum
mechanical results. The numerical implementation of the method is straightforward and the
long-time behavior of the system can be accessed. Analytic equilibrium solutions for the adiabatic
regime are obtained, and we find good agreement between the long-time solution of the stochastic
equations and these equilibrium solutions. We examine the dependence of the electronic population
on the initial preparation of the bath and find that the proportion between oscillation ~coherence! and
decay ~dissipation! is quite sensitive to this initial condition. | es |
dc.description.sponsorship | Dirección General de Enseñanza Superior. España PB98-1120 | es |
dc.format | application/pdf | es |
dc.format.extent | 12 p. | es |
dc.language.iso | eng | es |
dc.publisher | AIP Publishing | es |
dc.relation.ispartof | The Journal of Chemical Physics, 113 (24), 11176-11186. | |
dc.rights | Attribution-NonCommercial-NoDerivatives 4.0 Internacional | * |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | * |
dc.title | Relaxation in charge-transfer systems with very large tunnel splitting: A semiclassical stochastic approach | es |
dc.type | info:eu-repo/semantics/article | es |
dcterms.identifier | https://ror.org/03yxnpp24 | |
dc.type.version | info:eu-repo/semantics/publishedVersion | es |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | es |
dc.contributor.affiliation | Universidad de Sevilla. Departamento de Física Atómica, Molecular y Nuclear | es |
dc.relation.projectID | PB98-1120 | es |
dc.relation.publisherversion | https://aip.scitation.org/doi/10.1063/1.1326907 | es |
dc.identifier.doi | 10.1063/1.1326907 | es |
dc.journaltitle | The Journal of Chemical Physics | es |
dc.publication.volumen | 113 | es |
dc.publication.issue | 24 | es |
dc.publication.initialPage | 11176 | es |
dc.publication.endPage | 11186 | |
dc.identifier.sisius | 6698856 | es |
dc.contributor.funder | Dirección General de Enseñanza Superior (DGES). España | es |