Isoelectronic changes in X-alpha theory using a Z-transition state approach

Krishna Kumar, Venugopal K. ; Sen, Kali D. (1987) Isoelectronic changes in X-alpha theory using a Z-transition state approach Theoretica Chimica Acta, 72 (3). pp. 229-232. ISSN 0040-5744

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Official URL: http://www.springerlink.com/content/n214881214552q...

Related URL: http://dx.doi.org/10.1007/BF00527666

Abstract

Using a simple geometrical interpretation based on the Z-perturbation theory and the Hellman-Feynman theorem a Z-transition method is proposed for the calculation of total electronic energy difference of ions with respect to the isoelectronic neutral atoms. The method is particularly useful within the X-alpha like models wherein the negative ions are known to be inaccessible.

Item Type:Article
Source:Copyright of this article belongs to Springer.
Keywords:Local Density Functional Theory; Negative Ions
ID Code:45094
Deposited On:24 Jun 2011 12:45
Last Modified:24 Jun 2011 12:45

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