Shannon entropy of 1-normalized electron density
Abstract
The calculations of the 1-normalized Shannon entropy of Hartree-Fock electron density, S-eta, and Its variation with the number of electrons, [partial derivative S-eta/partial derivative 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.
Más información
| Título según WOS: | Shannon entropy of 1-normalized electron density |
| Título según SCOPUS: | Shannon entropy of 1-normalized electron density |
| Título de la Revista: | INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY |
| Volumen: | 39 |
| Número: | 1-3 |
| Editorial: | NATL INST SCIENCE COMMUNICATION-NISCAIR |
| Fecha de publicación: | 2000 |
| Página de inicio: | 48 |
| Página final: | 49 |
| Idioma: | English |
| Notas: | ISI, SCOPUS |