TITLE

Initial conditions and paths in semiclassical tunneling

AUTHOR(S)
Yin Guo; Shenmin Li; Thompson, Donald L.
PUB. DATE
August 1997
SOURCE
Journal of Chemical Physics;8/22/1997, Vol. 107 Issue 8, p2853
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Investigates the choice of initial conditions and tunneling paths for semiclassical tunneling for a two-dimensional double-well system. Modeling of hydrogen tunneling in unimolecular isomerization processes; Incorporation of tunneling effects in a standard trajectory simulation; Use of approximate normal-mode sampling to compute accurate level splittings.
ACCESSION #
4266785

 

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