Electron correlation in Li+, He, H− and the critical nuclear charge system ZC: energies, densities and Coulomb holes

Electron correlation in Li+, He, H− and the critical nuclear charge system ZC: energies, densities and Coulomb holes

This paper presents high-accuracy correlation energies, intracule densities and Coulomb hole(s) for the lithium cation, helium, hydride ion and the system with the critical nuclear charge, ZC, for binding two electrons. The fully correlated (FC) wave function and the Hartree–Fock (HF) wave function...

Full description

Bibliographic Details
Main Authors: Adam L. Baskerville, Andrew W. King, Hazel Cox
Format: Article
Language:English
Published: The Royal Society 2019-01-01
Series:Royal Society Open Science
Subjects:
electron correlation
coulomb hole
intracule density
two-electron systems
critical nuclear charge for binding
Online Access:https://royalsocietypublishing.org/doi/pdf/10.1098/rsos.181357

Internet

https://royalsocietypublishing.org/doi/pdf/10.1098/rsos.181357

Similar Items