A.D. McLean, B. Liu, et al.
The Journal of Chemical Physics
Self-consistent-field (SCF) calculations have been used to determine the ground negative-ion and ground neutral potential-energy curves for HeH, ArH, and ArCl. In the systems studied, the X 1 potential of the negative-ion state is more repulsive at intermediate internuclear separations than the X2 potential of the neutral partners, leading to a curve crossing of the negative-ion state into the continuum. However, at small internuclear separations the negative-ion potential becomes less repulsive than the neutral potential, leading to a second curve crossing out of the continuum. The calculated potential-energy curves are used to provide estimates of the energy thresholds and cross sections for electron detachment in the collisions H- + He, H- + Ar, and Cl- - Ar. The angular thresholds for electron detachment in differential-scattering measurements are also given and compared to experimental data. © 1978 The American Physical Society.
A.D. McLean, B. Liu, et al.
The Journal of Chemical Physics
P. Siegbahn, B. Liu
The Journal of Chemical Physics
R. Lindh, B. Liu
The Journal of Chemical Physics
Roberta P. Saxon, B. Liu
The Journal of Chemical Physics