Roberta P. Saxon, B. Liu
The Journal of Chemical Physics
CI calculations were performed for the 3∑g+ and 3∑u+ excimer states of Ar2 using molecular orbitals determined by MCSCF calculations. The 3∑u+ state has a small barrier and shallow well, as expected from analogy with other rare gas dimers. The deeply bound 3∑u,+ potential curve has a well depth of 0.68 eV at an internuclear separation of 4.59 a0. Elastic scattering on these curves was calculated and compared with experimental data. The primary rainbow from the 3∑u+ state is found to be in excellent agreement with observation. Copyright © 1976 American Institute of Physics.
Roberta P. Saxon, B. Liu
The Journal of Chemical Physics
Wolfram Koch, Bowen Liu, et al.
JACS
Roberta P. Saxon, Keith T. Gillen, et al.
Physical Review A
Wolfram Koch, Bowen Liu, et al.
Angewandte Chemie International Edition in English