Vijayakumar, M. ; Gopinathan, M. S. (1992) Pair-correlation energy and successive ionization potentials of atoms He-Zn Journal of Chemical Physics, 97 (9). pp. 6639-6643. ISSN 0021-9606
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Official URL: http://jcp.aip.org/resource/1/jcpsa6/v97/i9/p6639_...
Related URL: http://dx.doi.org/10.1063/1.463667
Abstract
The successive ionization potentials (IP's) of atoms He-Zn are calculated using the relativistic and correlated local-density RC≡ method. The contribution of correlation energy to IP's of these atoms are reported. It is found that these correlation contribution to IP's are different for different IP's of the same atom. It is also different for a given IP for different atoms. This behavior is qualitatively explained on the basis of the results of pair-correlation energy. A simple approximate expression to calculate the pair-correlation energy proposed earlier is discussed.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Institute of Physics. |
| Keywords: | Electron Correlation; Ionization Potential; Helium Complexes; Zinc Complexes; Relativistic Range; Equations |
| ID Code: | 15345 |
| Deposited On: | 13 Nov 2010 12:54 |
| Last Modified: | 02 Jun 2011 06:44 |
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