About cookies on this site Our websites require some cookies to function properly (required). In addition, other cookies may be used with your consent to analyze site usage, improve the user experience and for advertising. For more information, please review your options. By visiting our website, you agree to our processing of information as described in IBM’sprivacy statement. To provide a smooth navigation, your cookie preferences will be shared across the IBM web domains listed here.
Publication
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.