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Title
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An exact coupled cluster theory for Moshinsky and Hookean two-electron model atoms with spin-compensated ground states
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Author
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Abstract
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| 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. |
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Language
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English
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Source (journal)
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Chemical physics letters. - Amsterdam, 1967, currens
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Publication
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Amsterdam
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2003
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ISSN
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0009-2614
[print]
1873-4448
[online]
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DOI
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10.1016/S0009-2614(03)01255-7
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Volume/pages
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378
:1-2
(2003)
, p. 167-171
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ISI
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000185124600027
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Full text (Publisher's DOI)
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Full text (publisher's version - intranet only)
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