Publication
Title
An exact coupled cluster theory for Moshinsky and Hookean two-electron model atoms with spin-compensated ground states
Author
Abstract
The Moshinsky (M) and Hookean (H) models of two-electron atoms replace the electron-nuclear interaction by harmonic forces. The difference between them resides in the interparticle interaction, the H model retaining e(2)/r(12) as in helium, whereas the M atom is entirely harmonic. Using a 'coupled cluster' representation that = exp((X) over cap)Phi, (X) over cap is shown to be the sum of a one-body operator (X) over cap (1) and a two-body contribution (X) over cap (2). For Phi taken as a product of Gaussian functions, the one-body operator (X) over cap (1), is of length scaling form. In the M model, (X) over cap (2) is proportional to r(12)(2), whereas in the H model it is given explicitly as an infinite series in powers of r(12). Finally, some comments are added about the He-like ions in the limit of large atomic number. (C) 2003 Elsevier B.V. All rights reserved.
Language
English
Source (journal)
Chemical physics letters. - Amsterdam
Publication
Amsterdam : 2003
ISSN
0009-2614
Volume/pages
378:1-2(2003), p. 167-171
ISI
000185124600027
Full text (Publisher's DOI)
Full text (publisher's version - intranet only)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 03.01.2013
Last edited 22.08.2017
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