NATURAL EXPANSIONS OF CI WAVE-FUNCTIONS AND ANALYSIS OF COULOMB CORRELATIONS FOR HE(2P(2) P-3)-LIKE IONS

Citation
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
Citations number
31
Categorie Soggetti
Physics, Atomic, Molecular & Chemical",Optics
ISSN journal
09534075
Volume
27
Issue
22
Year of publication
1994
Pages
5453 - 5466
Database
ISI
SICI code
0953-4075(1994)27:22<5453:NEOCWA>2.0.ZU;2-N
Abstract
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.