TITLE

# Beyond the time-dependent Hartree grid approximation for curve-crossing problems

AUTHOR(S)
Campos-Martinez, Jose; Waldeck, Janet R.; Coalson, Rob D.
PUB. DATE
March 1992
SOURCE
Journal of Chemical Physics;3/1/1992, Vol. 96 Issue 5, p3613
SOURCE TYPE
DOC. TYPE
Article
ABSTRACT
A new â€˜â€˜configuration-interactionâ€™â€™ method is presented which extends the single-surface time-dependent Hartree grid (TDHG) approximation into a formally exact algorithm for obtaining multidimensional quantum wave-packet dynamics on nonradiatively coupled electronic potential surfaces. As a numerical example, photofragmentation cross sections are computed for a two-degree-of-freedom model of direct dissociation. For systems prepared in vibrationally excited states of the ground electronic potential the TDHG approximation fails due to â€˜â€˜direct correlationâ€™â€™ effects, while our method provides accurate results.
ACCESSION #
7617858

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