Effective potential methods in variational treatments of electron-molecule collisions. II. Application to HBr
Journal Article
·
· Journal of Chemical Physics
- Lawrence Livermore National Laboratory, Livermore, California 94550 (United States)
We report the results of variational calculations on low energy {ital e}{sup -}+HBr collisions using the complex Kohn method. We compare the results of all-electron numerical calculations with those in which effective core potentials are used. We present total, differential, and momentum transfer cross sections for electronically elastic scattering, as well as dissociative excitation cross sections for the low-lying electronic states that dissociate to ground-state neutral atoms. We find excellent agreement between the all-electron and core-potential results for all processes considered. {copyright} {ital 1996 American Institute of Physics.}
- Research Organization:
- Lawrence Livermore National Laboratory
- DOE Contract Number:
- W-7405-ENG-48
- OSTI ID:
- 253449
- Journal Information:
- Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 1 Vol. 104; ISSN JCPSA6; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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