2017
DOI: 10.3390/atoms5020015
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Shannon Information Entropy in Position Space for the Ground and Singly Excited States of Helium with Finite Confinements

Abstract: Abstract:We provide benchmark values for Shannon information entropies in position space for the ground state and ls2s 1 S e 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 w… Show more

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Cited by 26 publications
(26 citation statements)
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“…In confined two-electron isoelectronic series (H − , He, Li + , Be 2+ ), S has been reported for only ground states [64] by means of BLYP calculations. Some reports [52,[68][69][70][71][72][73] are available on S in penetrable confinement in atoms. For example, it was observed [68] that, in CHA, up to a certain value of r c , S r decreases with r c .…”
Section: Introductionmentioning
confidence: 99%
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“…In confined two-electron isoelectronic series (H − , He, Li + , Be 2+ ), S has been reported for only ground states [64] by means of BLYP calculations. Some reports [52,[68][69][70][71][72][73] are available on S in penetrable confinement in atoms. For example, it was observed [68] that, in CHA, up to a certain value of r c , S r decreases with r c .…”
Section: Introductionmentioning
confidence: 99%
“…It was also proposed [72] as an indicator to measure the delocalization of electron density. Ground-state atomic S's, as a function of the width of confining potential, was calculated by employing the correlated Hylleraas-type wave function in both repulsive and attractive finite potentials [70]. Confinement by an inert geometric planar boundary with finite barrier height has been studied [69] within a Thomas-Fermi-Dirac-Weizsäcker-type DFT framework.…”
Section: Introductionmentioning
confidence: 99%
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“…The key to accuracy of our result is the explicit treatment of electron correlation via highly correlated Hylleraas wave functions. Previously, we successfully used Shannon entropy to quantify electron delocalization in a quantum dot modeled by He under a finite confinement potential . In addition, Ho and his coworkers have reported accurate entanglement entropies such as linear entropy and von Neumann entropy for ground and excited states of helium‐like systems and for plasma‐embedded helium .…”
Section: Introductionmentioning
confidence: 99%
“…Originated from the information theory and later extended to the position space, the information-theoretic (IT) quantities provide a possible quantitative account of the extent of electron localization. For instance, the more delocalized is the electron distribution, the larger is the Shannon entropy (S) [3][4][5][6][7][8][9][10][11][12][13][14]. Moreover, Rényi entropy of order α (R α ) [15][16][17] and Tsallis entropy of order α (T α ) [18][19][20][21] are the one-parameter generalizations of Shannon entropy and offer extended descriptions.…”
Section: Introductionmentioning
confidence: 99%