MULTICONFIGURATION APPROXIMATION FOR THE CASE OF EQUIVALENT ELECTRONS (MNOGOKONFIGURATSIONNOE PRIBLIZHENIE V SLUCHAE EKVIVALENTNYKH ELEKTRONOV),
Abstract
A new method is proposed for formulating an atomic wave function in the multiconfiguration approximation for equivalent electrons, whereby the individual two-electron component terms are described by a linear combination of two-electron wave functions corresponding to different two-electron configurations. The total energy is expressed through radial integrals for atomic species having the configurations 1s(2)2p(N) (N = 2, 3, 4, 5, and 6), with allowance for the configuration 1s(2)2s(2)2p(N-2). Numerical values of the correction to the energy for the two-configuration approximation and numerical values of the weight factor are given for N = 2, 3, and 4. These were obtained by means of analytic orbitals, whose constants were determined in the single-configuration approximation. (Author)
Document Details
- Document Type
- Technical Report
- Publication Date
- Mar 01, 1966
- Accession Number
- AD0669199
Entities
People
- A. P. Yutsis
- V. I. Kavetskis
Organizations
- American Meteorological Society