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Title
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Semiempirical fine-tuning for Hartree-Fock ionization potentials of atomic ions with non-integral atomic number
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Author
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Abstract
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| Amovilli and March (2006) [8] used diffusion quantum Monte Carlo techniques to calculate the non-relativistic ionization potential I(Z) in He-like atomic ions for the range of (fractional) nuclear charges Z lying between the known critical value Z(c) = 0.911 at which I(Z) tends to zero and Z = 2. They showed that it is possible to fit I(Z) to a simple quadratic expression. Following that idea, we present here a semiempirical fine-tuning of Hartree-Fock ionization potentials for the isoelectronic series of He, Be, Ne, Mg and Ar-like atomic ions that leads to excellent estimations of Z(c) for these series. The empirical information involved is experimental ionization and electron affinity data. It is clearly demonstrated that Hartree-Fock theory provides an excellent starting point for determining I(Z) for these series. (C) 2013 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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2013
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ISSN
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0375-9601
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DOI
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10.1016/J.PHYSLETA.2013.09.014
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Volume/pages
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377
:41
(2013)
, p. 2955-2958
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ISI
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000326365100008
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Full text (Publisher's DOI)
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Full text (publisher's version - intranet only)
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