• G Madhavi Sastry

      Articles written in Journal of Chemical Sciences

    • A Gaussian wavepacket propagation study of non-adiabatic dynamics

      G Madhavi Sastry M Durga Prasad

      More Details Abstract Fulltext PDF

      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.

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