Information‐theoretic approach in density functional theory and its recent applications to chemical problems

C Rong, B Wang, D Zhao, S Liu - Wiley Interdisciplinary …, 2020 - Wiley Online Library
Using simple functionals of the electron density to appreciate and quantify molecular
structure and chemical reactivity properties is a recent endeavor in density functional theory …

Non-relativistic bound state solutions with α-deformed Kratzer-type potential using the super-symmetric WKB method: application to theoretic-information measures

E Omugbe, OE Osafile, IB Okon, ES Eyube… - The European Physical …, 2022 - Springer
In this work, we studied the bound states and quantum theoretic-information measurements
of an α-deformed Kratzer-type potential with the Schrodinger equation. The ground state …

Dispersion and entropy-like measures of multidimensional harmonic systems: application to Rydberg states and high-dimensional oscillators

JS Dehesa, IV Toranzo - The European Physical Journal Plus, 2020 - Springer
The spreading properties of the stationary states of the quantum multidimensional harmonic
oscillator are analytically discussed by means of the main dispersion measures (radial …

On the relationship between densities of Shannon entropy and Fisher information for atoms and molecules

S Liu - The Journal of chemical physics, 2007 - pubs.aip.org
An analytical relationship between the densities of the Shannon entropy and Fisher
information for atomic and molecular systems has been established in this work. Two …

Information‐entropic measures in free and confined hydrogen atom

N Mukherjee, AK Roy - International Journal of Quantum …, 2018 - Wiley Online Library
Shannon entropy (S), Rényi entropy (R), Tsallis entropy (T), Fisher information (I), and
Onicescu energy (E) have been explored extensively in both free H atom (FHA) and …

Fisher–Shannon plane and statistical complexity of atoms

JC Angulo, J Antolín, KD Sen - Physics Letters A, 2008 - Elsevier
Using the Hartree–Fock non-relativistic wave functions in the position and momentum
spaces, the statistical measure of complexity C, due to López-Ruiz, Mancini, and Calbet for …

Statistical complexity and Fisher–Shannon information in the H-atom

J Sañudo, R López-Ruiz - Physics Letters A, 2008 - Elsevier
The Fisher–Shannon information and a statistical measure of complexity are calculated in
the position and momentum spaces for the wave functions of the H-atom. For each level of …

Investigation of quantum information theory with the screened modified Kratzer and a class of Yukawa potential model

EP Inyang, E Omugbe, M Abu-shady… - The European Physical …, 2023 - Springer
In this research, the screened modified Kratzer potential plus class of Yukawa potential with
the Schrodinger equation is solved using the Nikiforov-Uvarov method to determine the …

[HTML][HTML] Shannon entropy and Fisher information for endohedral confined one-and two-electron atoms

C Martínez-Flores - Physics Letters A, 2021 - Elsevier
In this work, we study the Shannon entropy and Fisher information of the H, He, Li+, and Be
2+ atoms confined by a C 60 cavity. The fullerene cavity is described by three model …

[HTML][HTML] Fisher information for the position-dependent mass Schrödinger system

BJ Falaye, FA Serrano, SH Dong - Physics Letters A, 2016 - Elsevier
This study presents the Fisher information for the position-dependent mass Schrödinger
equation with hyperbolic potential V (x)=− V 0 csch 2 (ax). The analysis of the quantum …