Literature DB >> 18266440

Basis set sampling in the method of coupled coherent states: coherent state swarms, trains, and pancakes.

Dmitrii V Shalashilin1, Mark S Child.   

Abstract

The paper provides a systematic account of simple sampling techniques used in the multidimensional quantum dynamical method of coupled coherent states. For the sampling techniques based on a Gaussian distribution, it is noticed that faster convergence is achieved if "compression" of the basis set decreases as the basis size is increased. Good results are obtained for the autocorrelation functions of wave packets propagated in Henon-Heiles potentials with up to 32 degrees of freedom. Further test calculations are performed by employing trains of coherent states sampled on the same classical trajectory with successive time delays.

Year:  2008        PMID: 18266440     DOI: 10.1063/1.2828509

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  1 in total

1.  Finite temperature application of the corrected propagator method to reactive dynamics in a condensed-phase environment.

Authors:  David Gelman; Steven D Schwartz
Journal:  J Chem Phys       Date:  2011-01-21       Impact factor: 3.488

  1 in total

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