| Literature DB >> 16229562 |
K D Sen1.
Abstract
The Shannon information entropy of 1-normalized electron density in position and momentum space Sr and Sp, and the sum ST, respectively, are reported for the ground-state H, He+, Li2+, H-, He, Li+, Li, and B atoms confined inside an impenetrable spherical boundary defined by radius R. We find new characteristic features in ST denoted by well-defined minimum and maximum as a function of confinement. The results are analyzed in the background of the irreducible lower bound stipulated by the entropy uncertainty principle [I. Bialynicki-Birula and J. Mycielski, Commun. Math. Phys. 44, 129 (1975)]. The spherical confinement model leads to the ST values which satisfy the lower bound up to the limits of extreme confinements with the interesting new result displaying regions over which a set of upper and lower bounds to the information entropy sum can be locally prescribed. Similar calculations on the H atom in 2s excited states are presented and their novel characteristics are discussed.Entities:
Year: 2005 PMID: 16229562 DOI: 10.1063/1.2008212
Source DB: PubMed Journal: J Chem Phys ISSN: 0021-9606 Impact factor: 3.488