P. Siegbahn, B. Liu
The Journal of Chemical Physics
Configuration-interaction (CI) potential curves have been calculated for the ten lowest singlet molecular states of MgH+. The X 1, A 1, and B 1 molecular states are calculated to be bound by 1.93, 1.93, and 0.18 eV at equilibrium separations 3.16, 3.84, and 4.41a0, respectively. These potential-well characteristics are in reasonable accord with analyses performed on spectroscopic data. The CI potential curves were employed in a three-channel scattering calculation to estimate H+ + Mg electron-capture cross sections at velocities (0.1-1.4) × 108 cm/sec. Capture with excitation of the ion dominates with H + Mg+ (3p) being the major electron-capture channel at 1 × 108 cm/sec. At higher velocities, a classical-trajectory Monte-Carlo method was used to calculate both the electron-capture and impact-ionization across sections for the H+ + Mg collision pair. The calculated electron-capture cross sections are in reasonable agreement with the recent measurements of Morgan and Eriksen. © 1979 The American Physical Society.
P. Siegbahn, B. Liu
The Journal of Chemical Physics
A.D. McLean, B. Liu
The Journal of Chemical Physics
B. Liu
Physical Review Letters
Roberta P. Saxon, B. Liu
The Journal of Chemical Physics