Literature DB >> 15903852

Short-time dynamics through conical intersections in macrosystems.

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


  3 in total

1.  Photochemistry of hydrogen-bonded aromatic pairs: Quantum dynamical calculations for the pyrrole-pyridine complex.

Authors:  Zhenggang Lan; Luis Manuel Frutos; Andrzej L Sobolewski; Wolfgang Domcke
Journal:  Proc Natl Acad Sci U S A       Date:  2008-07-28       Impact factor: 11.205

2.  How the Interplay among Conformational Disorder, Solvation, Local, and Charge-Transfer Excitations Affects the Absorption Spectrum and Photoinduced Dynamics of Perylene Diimide Dimers: A Molecular Dynamics/Quantum Vibronic Approach.

Authors:  Alekos Segalina; Daniel Aranda; James A Green; Vito Cristino; Stefano Caramori; Giacomo Prampolini; Mariachiara Pastore; Fabrizio Santoro
Journal:  J Chem Theory Comput       Date:  2022-04-04       Impact factor: 6.578

3.  Role of initial system-bath correlation on coherence trapping.

Authors:  Ying-Jie Zhang; Wei Han; Yun-Jie Xia; Yan-Mei Yu; Heng Fan
Journal:  Sci Rep       Date:  2015-08-25       Impact factor: 4.379

  3 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.