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 |