Accession Number : AD0669199

Title :   MULTICONFIGURATION APPROXIMATION FOR THE CASE OF EQUIVALENT ELECTRONS (MNOGOKONFIGURATSIONNOE PRIBLIZHENIE V SLUCHAE EKVIVALENTNYKH ELEKTRONOV),

Corporate Author : AMERICAN METEOROLOGICAL SOCIETY BOSTON MASS

Personal Author(s) : Yutsis,A. P. ; Kavetskis,V. I.

Report Date : MAR 1966

Pagination or Media Count : 10

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)

Descriptors :   (*ATOMIC ORBITALS, APPROXIMATION(MATHEMATICS)), ATOMIC SPECTROSCOPY, ATOMIC ENERGY LEVELS, WAVE FUNCTIONS, INTEGRALS, BERYLLIUM, BORON, CARBON, NITROGEN, OXYGEN, FLUORINE, NEON, USSR

Subject Categories : Atomic and Molecular Physics and Spectroscopy
      Quantum Theory and Relativity

Distribution Statement : APPROVED FOR PUBLIC RELEASE