Nonadiabatic effects in the collision of F(2P) with H2(1Σ+g). II. Born–Oppenheimer and angular momentum coupling in adiabatic and diabatic representations
- 1 May 1976
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 64 (9) , 3879-3884
- https://doi.org/10.1063/1.432705
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.Keywords
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