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 + t2) 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.
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Research Article| January 18 2012
Nuclear dynamics for a three-state Jahn–Teller model system
Pascal Krause, Spiridoula Matsika; Nuclear dynamics for a three-state Jahn–Teller model system. J. Chem. Phys. 21 January 2012; 136 (3): 034110. https://doi.org/10.1063/1.3677273
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