The wcond-order energy for Ne is computed starting with the symmetric sum of oneclectron Hartree-Fock operators as the Teroth-ordcr hamiltonian. The variational-perturbation pair functions of dcfmite orbital and spin symmetry are expressed in the form of partial wave expansions. Special attention is
Correlation energy of the neon atom
β Scribed by R.K. Nesbet; T.L. Barr; E.R. Davidson
- Publisher
- Elsevier Science
- Year
- 1969
- Tongue
- English
- Weight
- 181 KB
- Volume
- 4
- Category
- Article
- ISSN
- 0009-2614
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π SIMILAR VOLUMES
The radial momentum distribution lo(p) and the Compton profile Jc(l!) are determined for atomic neon from several restricted Hartrec-Fock (RHF) wavefunctions and two configuration interaction (CI) wavefunctions. The CI functions are the we!l correlated (fulI "second-order") function of Viers, Schaef
Ab inilio CI c;llcul.lwd sTTecls 01 elecmon corrclakn on high-energ) electron scaIwring LTOFF ascrions arc prrsun~cd ror "son logelher with a relawd polenkd ensrgy analysts or the correlaCon energy. The thcorericnl rcrul~ mcludmg sllrnaws 01 the full correlation clfecls. arc In good agreemen! wth ex
In the introductory section, we compare the total, kinetic, nuclearαelectron, Coulomb, exchange, and correlation energies of ground-state atoms. Ε½ . From the analyses of the data, one can conclude that the HartreeαFock HF model is notably good and might require only a small perturbation to become e