
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 twoelectron component terms are described by a linear combination of twoelectron wave functions corresponding to different twoelectron 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(N2). Numerical values of the correction to the energy for the twoconfiguration 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 singleconfiguration 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