Multichannel quantum wave packet propagation in the interaction picture: application to gas-surface scattering

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Abstract

Propagation of quantum wave packet in the interaction picture substantially improves the efficiency of time-dependent quantum mechanical (TDQM) methods for solving various scattering or half scattering problems. This paper generalizes the idea in a straightforward manner to treat coupled channel quantum wave packet propagation when basis set expansions of the total wavefunction in certain degrees of freedom are desired.

Original languageEnglish (US)
Pages (from-to)28-37
Number of pages10
JournalComputer Physics Communications
Volume63
Issue number1-3
DOIs
StatePublished - Feb 1991

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ASJC Scopus subject areas

  • Hardware and Architecture
  • Physics and Astronomy(all)

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