Cross-section and asymmetry-parameter calculations for the outer- and inner-valence photoionization of ethane
- 1. Department of Chemistry, Texas A and M University, College Station, Texas 77843-3255 (United States)
Description
We have computed cross sections and asymmetry parameters for the outer- and inner-valence photoionization of ethane using the Schwinger variational method with Pade corrections. The calculated total cross section is found to be in rather good agreement with the available electron-impact and photoabsorption measurements. One-electron resonant processes in the (1eg)-1 (3a1g)-1, and (2a1g)-1 ionization channels were examined comparing resonant states predicted from the virtual orbitals of a minimum basis set self-consistent-field (MBS-SCF) calculations with scattering resonances found using a local model potential for the electron-molecule interaction. The analysis of the interaction potential in terms of adiabatic radial components provides a description of the mechanism of the resonant trapping
Additional details
Identifiers
Publishing Information
- Journal Title
- Physical Review. A
- Journal Volume
- 69
- Journal Issue
- 6
- Journal Page Range
- p. 062712-062712.9
- ISSN
- 1050-2947
- CODEN
- PLRAAN
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 36084774
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ASYMMETRY; CORRECTIONS; ELECTRON-MOLECULE COLLISIONS; ELECTRONS; ETHANE; INNER-SHELL IONIZATION; PHOTOIONIZATION; PHOTON-MOLECULE COLLISIONS; POTENTIALS; RESONANCE; SCATTERING; SCHWINGER VARIATIONAL METHOD; SELF-CONSISTENT FIELD; TOTAL CROSS SECTIONS; TRAPPING; VALENCE
- Descriptors DEC
- ALKANES; CALCULATION METHODS; COLLISIONS; CROSS SECTIONS; ELECTRON COLLISIONS; ELEMENTARY PARTICLES; FERMIONS; HYDROCARBONS; IONIZATION; LEPTONS; MOLECULE COLLISIONS; ORGANIC COMPOUNDS; PHOTON COLLISIONS; VARIATIONAL METHODS
Optional Information
- Notes
- (c) 2004 The American Physical Society