Correlated energy from radial density–energy relations

Author:

Baskerville Adam L.1ORCID,Gray Conor1,Cox Hazel1ORCID

Affiliation:

1. Department of Chemistry, School of Life Sciences, University of Sussex, Falmer, Brighton BN1 9QJ, UK

Abstract

Here, we demonstrate that the radial distribution function can be mapped into a radial density–energy space and the relationship between the radial density and radial energy is linear for the ground and excited states of helium-like systems; the gradient of the resulting straight line delivers the energy of the state considered. To utilize this finding, a simple analytical expression for the total energy in terms of the density at the most probable nucleus–electron distance of the systems considered is derived using a fitting procedure.

Funder

EPSRC

Nvidia

Publisher

The Royal Society

Subject

Multidisciplinary

Cited by 1 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

1. Correlated energy from radial density–energy relations;Royal Society Open Science;2023-03

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