Shannon entropy of 1-normalized electron density

Fazal, SP; Sen, KD; Gutierrez G.; Fuentealba P.

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