Some Aspects of Electron Correlation in Openhyphen;Shell States.21Pand23PHelium

摘要

Accurate wavefunctions for the23Pand21Pstates of helium have been analyzed into pair, polarization, and semihyphen;internal correlation effects. The dynamical, transferable pairhyphen;correlation energies account for approximately 90percnt; of the total correlation energies. The special openhyphen;shell effects, symmetry polarizations, and semihyphen;internal correlation, account for half the remaining correlation energy. It is shown computationally that the polarization and semihyphen;internal correlation energies can be computed separately from the pair energies to about 96percnt; accuracy.