Charge densities and transition densities from the theory of non-closed-shell states and their experimental tests

It is shown that the proper generalization of the Hartrec-Fock wave function to non-closed-shell states is the charge wave function. ψc, introduced recently by Sinanoglu. This wave function contains all the specifically non-closed-shell type correlation effects which vanish in the closed-shell limit, that is, the internal and semi-internal correlations. The ψc gives the “charge-like properties” like electric dipole, quadrupole moments, form factors, hyperfine constants, and the transition densities, hence the allowed and forbidden optical transition probabilities, generalized oscillator strengths, Born cross sections, etc., to good accuracy. The charge wave functions of various ground and excited states are calculated, and from them the above charge-like properties. Unlike the Hartree-Fock values which show large discrepancies, the charge wave function results agree very well with experiments.