Atomic photoionization calculations using local continuum exchange approximations
Creators
Description
Results using some previous models for atomic photoionization were calculated using all four forms of the dipole operator: length, velocity, acceleration based on the initial-state potential gradient, and acceleration based on the final-state potential gradient. Calculations were performed on one or more subshells of six atoms. In no case did a previous result agree better with the corresponding Hartree-Fock result than did the Hartree-Slater calculation. The four operators results within each subshell are compared in order to understand this. It is concluded that open-shell interactions must be taken into account in model exchange potentials for photoionization. An untested implication is that the success with electron - molecule scattering calculations is due to the restriction to electron closed-shell cases. 12 references
Additional details
Additional titles
- Augmented title (English)
- Hartree-Slater calculation, four forms of dipole operator potentials
Publishing Information
- Imprint Title
- Radiological and Environmental Research Division annual report: fundamental molecular physics and chemistry, October 1977-September 1978
- Journal Page Range
- p. 38-41.
- Report number
- ANL--78-65(Pt.1)
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 11515113
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Resource subtype / Literary indicator
- Numerical Data
- Descriptors DEI
- ACCELERATION; ARGON; ATOMS; DIPOLES; ELECTRON-MOLECULE COLLISIONS; ENERGY LEVELS; GRAPHS; HARTREE-FOCK METHOD; INNER-SHELL IONIZATION; ISOLATED VALUES; LITHIUM; MERCURY; NEON; PHOTOIONIZATION; QUANTUM OPERATORS; SCATTERING; SLATER METHOD; SODIUM; THEORETICAL DATA; VELOCITY; XENON
- Descriptors DEC
- ALKALI METALS; COLLISIONS; DATA; DATA FORMS; ELECTRON COLLISIONS; ELEMENTS; INFORMATION; IONIZATION; MATHEMATICAL OPERATORS; METALS; MOLECULE COLLISIONS; MULTIPOLES; NONMETALS; NUMERICAL DATA; RARE GASES