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Atoms 2017, 5(2), 15; doi:10.3390/atoms5020015

Shannon Information Entropy in Position Space for the Ground and Singly Excited States of Helium with Finite Confinements

1
Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei 10617, Taiwan
2
Department of Chemistry, National Taiwan University, Taipei 10617, Taiwan
*
Author to whom correspondence should be addressed.
Academic Editor: James F. Babb
Received: 13 December 2016 / Revised: 10 March 2017 / Accepted: 21 March 2017 / Published: 24 March 2017
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Abstract

We provide benchmark values for Shannon information entropies in position space for the ground state and ls2s 1Se excited state of helium confined with finite confinement potentials by employing the highly correlated Hylleraas-type wave functions. For the excited state, a “tilt” (small oscillation) on the curve of Shannon entropy as a function of width size for the confinement potential is observed. Justified by the behavior of the electron density, the localization or delocalization of the helium wave functions confined with repulsive and attractive finite oscillator (FO) potentials are examined. View Full-Text
Keywords: Shannon entropy; position space; helium; Hylleraas functions; quantum confinement; finite oscillator potentials; electron density Shannon entropy; position space; helium; Hylleraas functions; quantum confinement; finite oscillator potentials; electron density
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).

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MDPI and ACS Style

Ou, J.-H.; Ho, Y.K. Shannon Information Entropy in Position Space for the Ground and Singly Excited States of Helium with Finite Confinements. Atoms 2017, 5, 15.

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