Effective exchange potentials for electronically inelastic scattering
Creators
- 1. Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455
Description
We propose new methods for solving the electron scattering close coupling equations employing equivalent local exchange potentials in place of the continuum-multiconfiguration-Hartree--Fock-type exchange kernels. The local exchange potentials are Hermitian. They have the correct symmetry for any symmetries of excited electronic states included in the close coupling expansion, and they have the same limit at very high energy as previously employed exchange potentials. Comparison of numerical calculations employing the new exchange potentials with the results obtained with the standard nonlocal exchange kernels shows that the new exchange potentials are more accurate than the local exchange approximations previously available for electronically inelastic scattering. We anticipate that the new approximations will be most useful for intermediate-energy electronically inelastic electron--molecule scattering
Additional details
Publishing Information
- Journal Title
- J. Chem. Phys.
- Journal Volume
- 78
- Journal Issue
- 1
- Series
- J. Chem. Phys.
- Journal Page Range
- 275-279
- ISSN
- 0021-9606
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 14747590
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ELECTRON-ATOM COLLISIONS; ELECTRON-MOLECULE COLLISIONS; ENERGY-LEVEL TRANSITIONS; EXCHANGE INTERACTIONS; INELASTIC SCATTERING; POTENTIALS
- Descriptors DEC
- ATOM COLLISIONS; COLLISIONS; ELECTRON COLLISIONS; INTERACTIONS; MOLECULE COLLISIONS; SCATTERING