Based on the local Shannon entropy concept in information theory, a new measure of aromaticity is introduced. This index, which describes the probability of electronic charge …
The Fisher information of single-particle systems with a central potential, which is a gradient functional of their quantum-mechanical probability density, is studied in detail in the position …
KD Sen - The Journal of chemical physics, 2005 - pubs.aip.org
The Shannon information entropy of 1-normalized electron density in position and momentum space S r and S p, and the sum ST, respectively, are reported for the ground …
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 …
This paper introduce the belief Fisher–Shannon (BFS) information plane based on basic probability assignment concept. Moreover, upper and lower bounds of BFS information are …
We investigate the course of an elementary chemical reaction from the perspective of information theory in 3 D space through the hypersurface of several information-theoretic (IT) …
CR Estañon, HE Montgomery Jr… - … Journal of Quantum …, 2024 - Wiley Online Library
In this article, we study the helium atom confined in a spherical impenetrable cavity by using informational measures. We use the Ritz variational method to obtain the energies and wave …
LG Jiao, LR Zan, YZ Zhang… - International Journal of …, 2017 - Wiley Online Library
The information‐theoretic measure of confined hydrogen atom has been investigated extensively in the literature. However, most of them were focused on the ground state and …
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 …