Correlation Energy in Atomic Systems. IV. Degeneracy Effects
- 15 April 1966
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 44 (8) , 3050-3053
- https://doi.org/10.1063/1.1727179
Abstract
The degeneracy effects in the isoelectronic series of the first‐row atoms are analyzed. The near‐degenerate configurations 1s22s22p2 and 1s22s02pn+2 are computed within the framework of a two‐configuration SCF technique. The newly obtained correlation energy diagram indicates a remarkable simplicity in its structure.Keywords
This publication has 17 references indexed in Scilit:
- Two-configuration, self-consistent field theoryTheoretical Chemistry Accounts, 1966
- Correlation Energy in Atomic Systems. III. Configurations with 3d and 4s ElectronsThe Journal of Chemical Physics, 1965
- Atomic Negative Ions: The Iron SeriesPhysical Review B, 1964
- Computed Potential Curve and Spectroscopic Constants for Beryllium Oxide Ground State in Molecular Orbital ApproximationThe Journal of Chemical Physics, 1964
- Relativistic Correction for Analytic Hartree-Fock Wave FunctionsPhysical Review B, 1964
- Atomic Negative Ions. Second PeriodPhysical Review B, 1964
- On the Correlation Energy in the CH4 MoleculeThe Journal of Chemical Physics, 1964
- Approximate relativistic correction for 10–18 electrons in atomsJournal of Molecular Spectroscopy, 1964
- The two-configuration approximation for four-electron ionsAnnals of Physics, 1961
- Electronic correlation energy in 3- and 4-electron atomsJournal of Molecular Spectroscopy, 1961