Published 1978 | Version v1
Report

Atomic photoionization calculations using local continuum exchange approximations

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)