IMPROVEMENT OF THE CALCULATION OF THE GROUND STATE OF ATOMIC SPECIES OF HELIUM TYPE (HELIO TIPO ATOMU PAGRINDINES BUSENOS SKAICIAVIMO PATIKSLINIMO KLAUSIMU),
Abstract
The multiconfiguration approximations 1s(2) - 1s2s, 1s(2) - 1s2s - nl(2) (n = 2, 3; l = 0, 1, 2), and 1s(2) - 1s2s - 2p(2) - 3d(2) - 3p(2) are applied to the atomic species He, Li(+), and Be(++). It is shown that the two-configuration approximation 1s(2) - 1s2s has a considerable effect if the orbitals of both the correction configuration and the configuration under study are determined in a two-configuration approximation. The energy value as calculated in a multiconfiguration approximation including the configuration 1s2s is about 0.010 esu lower than the multiconfiguration energy value calculated without allowance for the minimum configuration. The problem of the convergence of the multiconfiguration approximation is discussed. (Author)
Document Details
- Document Type
- Technical Report
- Publication Date
- May 01, 1966
- Accession Number
- AD0831590
Entities
People
- A. Kancerevicius
Organizations
- American Meteorological Society