Publication
Title
Semiempirical fine-tuning for Hartree-Fock ionization potentials of atomic ions with non-integral atomic number
Author
Abstract
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.
Language
English
Source (journal)
Physics letters: A. - Amsterdam, 1967, currens
Publication
Amsterdam : 2013
ISSN
0375-9601
Volume/pages
377:41(2013), p. 2955-2958
ISI
000326365100008
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 16.12.2013
Last edited 16.11.2017
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