Paul Von Ragué Schleyer, Wolfram Koch, et al.
Journal of the Chemical Society, Chemical Communications
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.
Paul Von Ragué Schleyer, Wolfram Koch, et al.
Journal of the Chemical Society, Chemical Communications
George C. Lie, Juergen Hinze, et al.
The Journal of Chemical Physics
Roberta P. Saxon, Byron H. Lengsfield III, et al.
The Journal of Chemical Physics
Roberta P. Saxon, B. Liu
The Journal of Chemical Physics