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Title
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Correlated analytic ground-state densities for two-electron atomic ions from Be to Ne
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Author
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Abstract
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| In earlier work, we demonstrated that the three-parameter correlated variational ground-state wave function of Chandrasekhar for two-electron atomic ions led to a closed analytic ground-state electron density rho(r). Here, we determine the three parameters by imposing (i) Kato's cusp condition at the nucleus, (ii) the correct large-r behavior of rho(r) involving the ionization potential, and (iii) the electrostatic potential created by rho(r) at the nucleus, as given by the 1/Z expansion of atomic theory. It is then found, from results obtained for Be through Ne, that the electron-electron coalescence condition is increasingly well accounted for as the atomic number Z increases. Finally, the one-body potential of density functional theory is extracted from rho(r). (C) 2007 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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Physics letters : A. - Amsterdam, 1967, currens
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Publication
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Amsterdam
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North-Holland
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2007
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ISSN
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0375-9601
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DOI
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10.1016/J.PHYSLETA.2007.02.092
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Volume/pages
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366
:4-5
(2007)
, p. 451-453
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ISI
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000248252100028
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Full text (Publisher's DOI)
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Full text (publisher's version - intranet only)
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