Time-dependent self-consistent field approximation with explicit two-body correlations

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A new quantum mechanical time propagation method is described, which is best suited for studying the dynamics of a system strongly coupled to a bath. The method makes use of the time-dependent self-consistent field (TDSCF) idea and thus scales linearly with the number of degrees of freedom, but explicitly incorporates in the wave function two-body correlations between strongly coupled modes. Test applications on a three-degree-of-freedom reaction-path-type model show the method to be extremely accurate over a variety of conditions and with very strong coupling, even in cases where the traditional TDSCF approach is completely incapable of describing the dynamics.

Original languageEnglish (US)
Pages (from-to)541-548
Number of pages8
JournalChemical Physics Letters
Issue number6
StatePublished - Jun 22 1990
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry


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