Publication
The Journal of Chemical Physics
Paper

Nonadiabatic effects in the collision of F(2P) with H 2(1Σg+). II. Born-Oppenheimer and angular momentum coupling in adiabatic and diabatic representations

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Abstract

The matrix elements necessary for the description of electronic interactions between the 1 2A′, 2 2A′, and 2A″ surfaces of FH2 are evaluated from Born-Oppenheimer states. It is shown that these couplings are handled most appropiately in a diabatic basis. The transformation between adiabatic and diabatic bases is explicitly obtained. Copyright © 1976 American Institute of Physics.

Date

28 Aug 2008

Publication

The Journal of Chemical Physics

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