| Literature DB >> 15903852 |
Lorenz S Cederbaum1, Etienne Gindensperger, Irene Burghardt.
Abstract
The short-time dynamics through a conical intersection of a macrosystem with a vast number of nuclear degrees of freedom (modes) is investigated. For convenience, the macrosystem is decomposed into a system carrying a few modes and a "bath." By transforming the bath modes to new ones, it is shown that only three effective bath modes contribute to the conical intersection. They govern--together with the system's modes--the short-time dynamics of the macrosystem. The remaining bath modes do not directly couple the electronic states and become relevant at longer times. An extensive numerical example is presented.Year: 2005 PMID: 15903852 DOI: 10.1103/PhysRevLett.94.113003
Source DB: PubMed Journal: Phys Rev Lett ISSN: 0031-9007 Impact factor: 9.161