Information Entropies for H2 and ScF Diatomic Molecules with Deng- Fan-Eckart Potential

In this study, the Shannon entropy and the Fisher information is investigated with molecular Deng-Fan-Eckart potential for the diatomic molecules and ScF in position and momentum spaces in three dimensions for the ground and the excited states. The results were numerically obtained for diatomic molecules. Localization is observed for Shannon entropy and delocalization for Fisher information for both molecules in the position and momentum spaces. The uncertainty relations for the selected diatomic molecules were satisfied accordingly.

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Shannon entropy, Fisher information and uncertainty relations for log-periodic oscillators

Physica A Statistical Mechanics and its Applications ◽

10.1016/j.physa.2014.12.031 ◽

2015 ◽

Vol 423 ◽

pp. 72-79 ◽

Cited By ~ 22

Author(s):

V. Aguiar ◽

I. Guedes

Keyword(s):

Fisher Information ◽

Shannon Entropy ◽

Uncertainty Relations

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Application of Complete Orthonormal Sets of Ψ α -Exponential-Type Orbitals to Accurate Ground and Excited States Calculations of One-Electron Diatomic Molecules Using Single-Zeta Approximation

Chinese Physics Letters ◽

10.1088/0256-307x/25/8/030 ◽

2008 ◽

Vol 25 (8) ◽

pp. 2841-2844 ◽

Cited By ~ 2

Author(s):

I Guseinov ◽

R Aydιn ◽

A Bağcι

Keyword(s):

Excited States ◽

Exponential Type ◽

Diatomic Molecules ◽

Exponential Type Orbitals

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Shannon entropy and Fisher information-theoretic measures for Mobius square potential

The European Physical Journal Plus ◽

10.1140/epjp/s13360-020-00525-2 ◽

2020 ◽

Vol 135 (6) ◽

Cited By ~ 3

Author(s):

A. N. Ikot ◽

G. J. Rampho ◽

P. O. Amadi ◽

M. J. Sithole ◽

U. S. Okorie ◽

...

Keyword(s):

Fisher Information ◽

Shannon Entropy ◽

Information Theoretic ◽

Information Theoretic Measures

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Shannon, Rényi, Tsallis Entropies and Onicescu Information Energy for Low-Lying Singly Excited States of Helium

Atoms ◽

10.3390/atoms7030070 ◽

2019 ◽

Vol 7 (3) ◽

pp. 70 ◽

Cited By ~ 6

Author(s):

Jen-Hao Ou ◽

Yew Kam Ho

Keyword(s):

Excited States ◽

Shannon Entropy ◽

Electronic Structures ◽

Tsallis Entropy ◽

Renyi Entropy ◽

Rényi Entropy ◽

Electron Delocalization ◽

Information Theoretic ◽

Molecular Systems ◽

Information Energy

Knowledge of the electronic structures of atomic and molecular systems deepens our understanding of the desired system. In particular, several information-theoretic quantities, such as Shannon entropy, have been applied to quantify the extent of electron delocalization for the ground state of various systems. To explore excited states, we calculated Shannon entropy and two of its one-parameter generalizations, Rényi entropy of order α and Tsallis entropy of order α , and Onicescu Information Energy of order α for four low-lying singly excited states (1s2s 1 S e , 1s2s 3 S e , 1s3s 1 S e , and 1s3s 3 S e states) of helium. This paper compares the behavior of these three quantities of order 0.5 to 9 for the ground and four excited states. We found that, generally, a higher excited state had a larger Rényi entropy, larger Tsallis entropy, and smaller Onicescu information energy. However, this trend was not definite and the singlet–triplet reversal occurred for Rényi entropy, Tsallis entropy and Onicescu information energy at a certain range of order α .

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