Insights from intracules and Coulomb holes

DOI10.1088/1361-6404/AB835FMaRDI QIDQ6042529zbMATH OpenOpenAlexFDO

Authors Golam Ali Sekh, B. Talukdar, Supriya Chatterjee

Publication date 11 May 2023

Published in European Journal of Physics (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/2005.05904

zbMATH Keywords

Coulomb holeshelium-like systemintraculestwo-electron distribution function

Mathematics Subject Classification ID

Quantum theory (81-XX) Statistical mechanics, structure of matter (82-XX)

Abstract: We point out that a typical two-electron distribution function in atoms and molecules often called the intracule depends sensitively on the electron-electron repulsion which leads to the so-called Coulomb correlation. The difference between the intracule densities computed by using the correlated and uncorrelated wave functions has been given the name Coulomb hole. Studies in intracule densities and Coulomb holes form a subject of considerable current interest. We make use of a three-parameter correlated wave function and its uncorrelated limit to study the properties of intracules and Coulomb holes in $He$, $L{i}^{+}$, $B{e}^{2+}$ and $N{e}^{8+}$ and thus provide a transparent physical picture for the interplay between the electron-nucleus attraction and electron-electron repulsion in forming Coulomb holes around electrons in atoms of different $Z$ values.

Cites work

• A Simplification of the Hartree-Fock Method
• Electron Correlation in the Ground State of Helium
• scientific article; zbMATH DE number 3145904 (Why is no real title available?)
• scientific article; zbMATH DE number 3070425 (Why is no real title available?)
• scientific article; zbMATH DE number 3104018 (Why is no real title available?)
• On the eigenfunctions of many-particle systems in quantum mechanics
• Shannon entropies and Fisher information of K-shell electrons of neutral atoms

This page was built for publication: Insights from intracules and Coulomb holes

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q6042529)