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 |
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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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