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Correlated energy from radial density–energy relations

Authors :
Adam L. Baskerville
Conor Gray
Hazel Cox
Source :
Royal Society Open Science, Vol 10, Iss 3 (2023)
Publication Year :
2023
Publisher :
The Royal Society, 2023.

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.

Details

Language :
English
ISSN :
20545703
Volume :
10
Issue :
3
Database :
Directory of Open Access Journals
Journal :
Royal Society Open Science
Publication Type :
Academic Journal
Accession number :
edsdoj.819d8ba046e146fd84135df4189c47e1
Document Type :
article
Full Text :
https://doi.org/10.1098/rsos.221402