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
An estimate of three electron correlation effects in the neon atom
β Scribed by Neil R. Kestner
- Publisher
- Elsevier Science
- Year
- 1969
- Tongue
- English
- Weight
- 284 KB
- Volume
- 3
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
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
The effect of electron correlation on the spherically averaged electron density p( r) and the radial density distribution function D(r), exhibiting the shell structure of atoms, is studied, using basis sets consisting of contracted Gaussians, for the atoms Li through Ar. These effects were shown to
An infinite cooperative network of hydrogen bonded water molecules has been studied at the Hartree-Fock (HF) level and by including correlation up to the complete fourth order of Msller-Plesset perturbation theory (MP4) using Bloch transformed atomic basis functions of the type TZ( 2df, 2pd). The HF