• Title of article

    A variational solution of the time-dependent Schrodinger equation by a restricted superposition of frozen Gaussian wavepackets

  • Author/Authors

    Carlo Zoppe’، نويسنده , , Justin O. and Parkinson، نويسنده , , Meredith L. and Messina، نويسنده , , Michael، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2005
  • Pages
    7
  • From page
    308
  • To page
    314
  • Abstract
    We present a variational solution of the time-dependent Schrodinger equation formed from a restricted superposition of frozen Gaussian wavepackets. The trial function is comprised of a set of frozen Gaussian wavepackets and a set of three time-dependent variational parameters. The trial wavefunction is subjected to the McLachlan variational principle which leads to a set of equations for the optimal time-evolution of the variational parameters. We present numerical results for the time-evolution of the trial wavefunction on a single-dimensional anharmonic potential energy and compare to the results to the exact time-evolution. Finally, we derive a multi-dimensional generalization of the algorithm.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2005
  • Journal title
    Chemical Physics Letters
  • Record number

    1915401