Correlated energy from radial density-energy relations.

R Soc Open Sci

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

Published: March 2023

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Article 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.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10014244PMC
http://dx.doi.org/10.1098/rsos.221402DOI Listing

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