Theoretical Calculations of the-,-, and-Electron Transition Series
- 5 January 1969
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 177 (1) , 62-71
- https://doi.org/10.1103/physrev.177.62
Abstract
Self-consistent-field calculations of the effective quantum numbers for , , and electrons for a large number of atomic configurations from have been made using a Hartree plus statistical-exchange method with first-order correlation and relativistic energy corrections. The computed binding energies agree with experimental values where known (67 configurations), with an average deviation of 1.5%. The sudden decreases with increasing in the effective quantum numbers of the and electrons, which precede the onset of the known transition series, are accurately predicted. An interpretation of these changes in effective quantum number is given in terms of the effective potential. The probable existence of a , , or transition series beginning at about is examined. The computed abrupt decrease in effective quantum number of the and electrons at , and of the electron at , indicates the possible participation of all of these electrons in the ground configuration of such elements. Relativistic corrections strongly affect the calculated relative energies of different possible ground configurations of the elements .
Keywords
This publication has 17 references indexed in Scilit:
- Elements Beyond 100, Present Status and Future ProspectsAnnual Review of Nuclear Science, 1968
- Self-Consistent-Field Calculations for the Translawrencium Elements—Beginning of a 5g Transition SeriesThe Journal of Chemical Physics, 1968
- Atomic Self-Consistent-Field Calculations Using Statistical Approximations for Exchange and CorrelationPhysical Review B, 1967
- Hartree—Fock Parameters for the Atoms Helium to RadonThe Journal of Chemical Physics, 1966
- Analytical Self-Consistent Field Functions. III. Isoelectronic Series with 19 to 30 ElectronsThe Journal of Chemical Physics, 1964
- Analytical Self-Consistent Field Functions for Positive Ions. I. Isoelectronic Series with 2 to 10 ElectronsThe Journal of Chemical Physics, 1963
- Correction for Self-interaction in the Thomas-Fermi Potential with Application to f Electrons in AtomsProceedings of the Physical Society, 1962
- Atomic Energy Levels for the Thomas-Fermi and Thomas-Fermi-Dirac PotentialPhysical Review B, 1955
- Rare-Earth and Transuranic ElementsPhysical Review B, 1941
- Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines AtomsPhysica, 1934