Back to Search
Start Over
Correlated energy from radial density–energy relations
- 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.
- Subjects :
- energy–density relation
radial density
energy density
correlation energy
Science
Subjects
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