| Literature DB >> 22280747 |
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.Year: 2012 PMID: 22280747 DOI: 10.1063/1.3677273
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488