A Gaussian wavepacket propagation study of non-adiabatic dynamics
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The Gaussian wave-packet propagation (GWP) approach in the coherent state algebraic formalism has been applied to calculate the dynamics of a few model single-mode systems and a model two-mode system. To circumvent the problems arising in defining the initial conditions and the potential surface for such systems in this formalism, we have constructed a new Hamiltonian which is derived by mapping the original Hamiltonian on to a single electronic surface. Good agreement with exact results have been obtained.
KeywordsGaussian wave-packet dynamics quantum dynamics of non-adiabatic systems coherent state algebraic formalism
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