On the orbital theories in the spinhyphen;correlation problems. II. Unrestricted and spinhyphen;extended Hartreehyphen;Fock theories

摘要

A perturbationhyphen;variation treatment is applied to interconnect the unrestricted, projected unrestricted, and spinhyphen;extended Hartreehyphen;Fock wavefunctions with the first order sumhyphen;overhyphen;state perturbation wavefunction. The restricted Hartreehyphen;Fock wavefunction is chosen as a starting point. From these, the interrelations among these theories are clarified not only for the first order correction to the wavefunctions but also for their spin densities. Moreover, the natures of the unrestricted and spinhyphen;extended Hartreehyphen;Fock theories in the spinhyphen;correlation problems are examined in the light of the physical reality of the correlation phenomena in openhyphen;shell electronic systems. These results are ascertained numerically by referring the spin densities calculated by these various methods and obtained from experiments.