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http://nopr.niscpr.res.in/handle/123456789/25844| Title: | Shannon entropy of 1-normalized electron density |
| Authors: | Fazal, S Parveen Sen, K D Gutierrez, G Fuentealba, P |
| Issue Date: | Mar-2000 |
| Publisher: | NISCAIR-CSIR, India |
| Abstract: | The calculations of the 1-normalized Shannon entropy of Hartree-Fock electron density, Sη, and its variation with the number of electrons, [∂Sη/∂N]z, are reported for He-Xe atoms in the ground states. The N variation is shown as related to the Fukui function of the density functional theory and it becomes identically equal to zero if the electron density in N-electron system is described by the homogeneous electron gas. |
| Page(s): | 48-49 |
| ISSN: | 0975-0975(Online); 0376-4710(Print) |
| Appears in Collections: | IJC-A Vol.39A(01-03) [January-March 2000] |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| IJCA 39A(01-03) 48-49.pdf | 352.28 kB | Adobe PDF | View/Open |
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