EXCITED-STATE WAVE FUNCTIONS.
Abstract
Analytic self-consistent field functions were determined for the 20 L-S coupled terms of the configurations 1s22s22pk3s, and for the 56 terms of the configurations 1s22s22pk3d where k = 0, 1, 2, 3. These functions were employed in the computation of oscillator strengths. Analytic self-consistent field wave functions are presented for ten terms in Be, B, C, F, and Ne. Radial equations for open-shell atoms in the unrestricted H-F approximation were derived in general form. A program was completed for the calculation of the continuum of the ground-state H-F operator in the application of the Goldstone many-body formalism to the calculation of correlation energies of finite atoms. An analysis of the Coulomb approximation (CA) of Bates and Damgaard is presented, by comparison of CA wave functions with H-F wave functions, and by a derivation of an approximate one-electron equation which indicates the choice of experimental energy parameter. A discussion of the normalization of CA wave functions is given along with a discussion of the relevance of effective range theory to the CA, and the calculation of some effective ranges in oxygen. Extended tables of CA radial dipole integrals are presented. (Author)
Document Details
- Document Type
- Technical Report
- Publication Date
- Apr 01, 1965
- Accession Number
- AD0615976
Entities
People
- B. H. Armstrong
- J. Sokoloff
- M. Cohen
- P. Altick
- P. S. Kelly
Organizations
- Lockheed Martin Missiles and Space