Title 



Semiempirical finetuning for HartreeFock ionization potentials of atomic ions with nonintegral atomic number


Author 





Abstract 



Amovilli and March (2006) [8] used diffusion quantum Monte Carlo techniques to calculate the nonrelativistic ionization potential I(Z) in Helike 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 finetuning of HartreeFock ionization potentials for the isoelectronic series of He, Be, Ne, Mg and Arlike 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 HartreeFock 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 



03759601


Volume/pages 



377:41(2013), p. 29552958


ISI 



000326365100008


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