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      Permanent link:
      https://www.ias.ac.in/article/fulltext/jcsc/106/02/0569-0577

    • Keywords

       

      Gaussian wave-packet dynamics; quantum dynamics of non-adiabatic systems; coherent state algebraic formalism

    • Abstract

       

      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.

    • Author Affiliations

       

      G Madhavi Sastry1 M Durga Prasad1

      1. School of Chemistry, University of Hyderabad, Central University PO, Hyderabad - 500134, India
    • Dates

       
  • Journal of Chemical Sciences | News

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