Literature DB >> 22280747

Nuclear dynamics for a three-state Jahn-Teller model system.

Pascal Krause1, Spiridoula Matsika.   

Abstract

We report wavepacket dynamics on a model system with a three-state conical intersection. Quantum wavepacket dynamics using the multiconfigurational time-dependent Hartree method have been carried out for the T ⊗ (e + t(2)) Jahn-Teller problem, using a Jahn-Teller vibronic model Hamiltonian. The effects of the magnitude of the coupling parameters and of the initial position of the wavepacket on the dynamics around the three-state conical intersection have been considered. It was found that the effect of the coupling strength is not dramatic for the population transfer in most cases, but the details of the dynamics and the involvement of the different modes are affected by it.
© 2012 American Institute of Physics

Year:  2012        PMID: 22280747     DOI: 10.1063/1.3677273

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  1 in total

1.  Molecular features in complex environment: Cooperative team players during excited state bond cleavage.

Authors:  Sebastian Thallmair; Matthias K Roos; Regina de Vivie-Riedle
Journal:  Struct Dyn       Date:  2016-02-11       Impact factor: 2.920

  1 in total

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