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
Link To Document :
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