TITLE

Nonadiabatic transition and energy relaxation dynamics in the photoisomerization of s-trans

AUTHOR(S)
Ito, Masakatsu; Ohmine, Iwao
PUB. DATE
February 1997
SOURCE
Journal of Chemical Physics;2/22/1997, Vol. 106 Issue 8, p3159
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Investigates photoisomerization dynamics of s-trans butadiene by a semiclassical surface hopping trajectory method. Development of the Heisenberg model Hamiltonian to describe two covalent states involved in the process; Reproduction of the global structure of the potential energy surfaces and the nonadiabatic coupling of an ab initio method.
ACCESSION #
4292562

 

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