The nonadiabatic quantum dynamics of the F(2P1/2, 2P3/2) + HD reaction on modified Alexander, Stark, and Werner potential energy surfaces

In this Letter, the barrier height of the Alexander, Stark and Werner (ASW) potential energy surfaces is adjusted using the scale external correlation technique, which lowers by 0.016 eV the lowest barrier for the bent configuration and lowers by 0.015 eV the collinear barrier of the ASW diagonal diabatic potentials. The calculated integral cross sections for the reaction of F(2P3/2) with HD, using the time-dependent quantum wave packet method, show that the position of the resonance is about 0.026 eV, which is in the good agreement with experimental data.