Sen, K. D. ; Muthunayaki, R. S. (1996) Characteristic features of the electrostatic potential for negative atoms within the work formalism Journal of Chemical Physics, 104 (3). pp. 1025-1027. ISSN 0021-9606
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Official URL: http://link.aip.org/link/jcpsa6/v104/i3/p1025/s1
Related URL: http://dx.doi.org/10.1063/1.470827
Abstract
The characteristic topological features of the electrostatic potential for the negatively charged atoms defined by the Sen-Politzer theorem [J. Chem. Phys. 90, 4370 (1989)] calculated using the local exchange-only work potential derived from Coulomb's law are found to be in good agreement with the corresponding Hartree-Fock results. The perspective of the work formalism attaches new significance to the topological features exclusively in terms of the Fermi-Coulomb hole density.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Institute of Physics. |
| Keywords: | Chemical Potential; Coulomb Field; Electron Density; Electrostatics; Exchange Interactions; Hartree-fock Method; Holes; Topology |
| ID Code: | 44946 |
| Deposited On: | 24 Jun 2011 13:47 |
| Last Modified: | 24 Jun 2011 13:47 |
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