CALCULATIONS OF WAVE FUNCTIONS AND TRANSITION PROBABILITIES.
Abstract
Analytic expressions for the Slater integrals Fk and Gk are derived using the screened hydrogenic orbitals. The Slater integrals in this form are functions of the principal and the orbital angular momentum quantum numbers of the two electrons, and also the scaled (or effective) nuclear charges for the two electrons. Expressions are also derived for the partial derivatives of the Slater integrals. The functional dependence of the Slater integrals and their partial derivative upon the quantum numbers and the scaled nuclear charges is partially separated, which makes it especially convenient to use them in a machine program for calculating the screening parameters. The Slater integrals and their partial derivatives are evaluated for numerous cases of interest (up to n = 9). The calculations of the screening parameters for many-electron atoms, based on Layzer's variational theory, are described. Total energies, excited-state energies, ionization potentials, spin-orbit integrals, and transition integrals have been calculated for numerous atomic systems using screened hydrogenic orbitals. (Author)
Document Details
- Document Type
- Technical Report
- Publication Date
- Mar 01, 1964
- Accession Number
- AD0600374
Entities
People
- Ali M. Nagvi
- George A. Victor