Ke. Banyard et Drt. Keeble, NATURAL EXPANSIONS OF CI WAVE-FUNCTIONS AND ANALYSIS OF COULOMB CORRELATIONS FOR HE(2P(2) P-3)-LIKE IONS, Journal of physics. B, Atomic molecular and optical physics, 27(22), 1994, pp. 5453-5466
Natural expansions are presented for energetically acceptable configur
ation-interaction (CI) wavefunctions for the He(2p2 3P)-like ions when
1 less-than-or-equal-to Z less-than-or-equal-to 4. The symmetry of th
e natural orbitals and their occupation numbers are contrasted with ex
isting results for the ls2 1S ground state. Moreover, results are give
n for Coulomb holes, partial holes and interparticle expectation value
s [r12n], where -2 less-than-or-equal-to n less-than-or-equal-to + 2.
Comparisons are made with recently reported findings when the 2p2 3P s
tates were described by 'benchmark' explicity-correlated (EC) wavefunc
tions. The natural expansions of the CI functions allowed us to explor
e the origin and convergence of the effects of Coulomb correlation. In
particular, the analysis also highlighted significant changes in the
relative importance of angular and radial correlation for these doubly
-excited states as Z was increased.