Drt. Keeble et al., ANGULAR AND RADIAL CORRELATION IN DOUBLY-EXCITED SYSTEMS WHEN 1-LESS-THAN-OR-EQUAL-TO-Z-LESS-THAN-OR-EQUAL-TO-4 - THE 2P(2) P-3 STATE, Journal of physics. B, Atomic molecular and optical physics, 26(17), 1993, pp. 2811-2825
The angular and radial components of electron correlation have each be
en examined in detail for the discrete 2p2 3P States of H-, He, Li+ an
d Be2+. These doubly excited sytems were described by highly accurate
explicitly correlated wavefunctions. The analysis involved the use of
angular Coulomb holes, changes in the one- and two-particle radial den
sity distributions and several angular and radial expectation values.
Additionally, various statistical cor-relation coefficients were used
which emphasized, in tum, angular and radial correlation properties in
different regions of the two-particle density. The angular holes and
related properties showed a clearly defined inverse-Z effect for He an
d the positive ions. This trend was not repeated for the radial curves
. However, the radial densities did reveal a distinct 'in-out' correla
tion effect-similar in character to the split-shell behaviour for the
ground state. By comparison with the findings for Z greater-than-or-eq
ual-to 2, the angular and radial correlation effects for H- were alway
s exceedingly large, thus setting it apart from the other systems. For
He, the angular hole for the comparatively slow moving 2p2 3P electro
ns was found to be over 50% deeper than that for the ground state and
about six times the depth of a 1s2p 3P hole. The statistical correlati
on coefficients highlighted a steady growth, with Z, in the relative i
mportance of angular correlation. Nevertheless, for each system, these
coefficients indicated that the radial effect was the prevailing infl
uence on the two-particle probability distribution.