EXCITED-STATE WAVE FUNCTION RESEARCH.
Abstract
Self-consistent field wave functions were determined in analytical form for states of neutral and ionized nitrogen and oxygen. By use of the Slater approximation to the Hartree-Fock method, numerical wave functions were computed for about 400 excited configurations of the various ionic species of nitrogen and oxygen. From these wave functions, dipole transition probabilities were computed for about 1,400 bound-state transitions. A perturbation-expansion method is presented for calculating approximate Hartree-Fock transition probabilities, and computations of a variety of 2s-2p transitions for the carbon and lithium sequences are carried out. A large number of parameters is tabulated to simplify the computation of additional transition probabilities. A discussion of the orthogonality problem for Hartree-Fock wave functions is presented which shows that these wave functions for a pair of states of the same symmetry depart from orthogonality by terms of second order in inverse powers of the nuclear charge. Finally, an exploratory investigation is made of correlation corrections to Hartree-Fock wave functions. (Author)
Document Details
- Document Type
- Technical Report
- Publication Date
- Oct 01, 1963
- Accession Number
- AD0423114
Entities
People
- B. H. Armstrong
- C. C. J. Roothaan
- J. Sokoloff
- M. Cohen
- P. S. Kelly
Organizations
- Lockheed Martin Missiles and Space