Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 123, Issue 7, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.2008212
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The Shannon information entropy of 1-normalized electron density in position and momentum space S-r and S-p, and the sum S-T, 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 S-T 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 S-T 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. (c) 2005 American Institute of Physics.
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