English

Insights from intracules and Coulomb holes

Atomic Physics 2020-05-13 v1

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 HeHe, Li+Li^+, Be2+Be^{2+} and Ne8+Ne^{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 ZZ values.

Keywords

Cite

@article{arxiv.2005.05904,
  title  = {Insights from intracules and Coulomb holes},
  author = {Golam Ali Sekh and Benoy Talukdar and Supriya Chatterjee},
  journal= {arXiv preprint arXiv:2005.05904},
  year   = {2020}
}

Comments

9 pages 5 figures