H. Kistenmacher, H. Popkie, et al.
The Journal of Chemical Physics
Paper
Correlation energy in atomic systems. IV. Degeneracy effects
Abstract
The degeneracy effects in the isoelectronic series of the first-row atoms are analyzed. The near-degenerate configurations 1s22s 2p2 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.
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