Andrew W. Raczkowski, William A. Lester Jr., et al.
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
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.