January 1, 1970

Pair Correlations and the Electronic Structure of Neon

Key Points

Key points are not available for this paper at this time.

Abstract

Using a variationally determined set of atomic orbitals, the validity of pair-correlation approximations is examined for the Ne atom. Summing the usual pair-correlation energies yields 100.5% of the correlation energy. By summing symmetry-adapted pair-correlation energies, 90.2% of the correlation energy is obtained. The complete second-order wave function which includes the Hartree-Fock configurations plus all singly and doubly excited configurations produces 88.6% of the correlation energy.

Bookmark

Cite This Study

Viers et al. (Thu,) studied this question.

synapsesocial.com/papers/6a1d693dba65f5ee325e589c https://doi.org/https://doi.org/10.1103/physreva.1.24

Also Consider

Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context:

1Pseudonatural Orbitals as a Basis for the Superposition of Configurations. I. He2+1966 · 199 citations
2Derivation of the Brueckner many-body theory1957 · 1,260 citations
3Correlation Energy in Atomic Systems. V. Degeneracy Effects for the Second-Row Atoms1968 · 296 citations
4Superposition of Configurations and Atomic Oscillator Strengths—Carbon i and ii1967 · 157 citations
5Atomic Bethe-Goldstone Equations. III. Correlation Energies of Ground States of Be, B, C, N, O, F, and Ne1968 · 213 citations

Bookmark