Correlation Energy of the Two-Electron Atom in a Spherical Potential Box

15 December 1967

journal article
research article
Published by AIP Publishing in The Journal of Chemical Physics

Vol. 47 (12) , 5110-5115
https://doi.org/10.1063/1.1701767

Abstract

Results of calculations approximating the electronic Coulomb correlation energy of the two‐electron atom in a spherical potential box are reported and discussed. Although the total electronic energy of such an atom varies rather widely with changes in the radius of the box, the correlation energy seems to be relatively insensitive to such changes except for box radii on the order of or smaller than the atomic radius.

Keywords

This publication has 19 references indexed in Scilit:

Pseudopotentials, the Sizes of Atoms and Their s—p Splittings
The Journal of Chemical Physics, 1966
Polynomial Radial Functions for Atomic Wavefunctions
The Journal of Chemical Physics, 1966
The Quantum Theory of Valence
Annual Review of Physical Chemistry, 1965
Study of Electron Correlation in Helium-Like Systems Using an Exactly Soluble Model
Physical Review B, 1962
Analytical Self-Consistent Field Functions for the Atomic Configurations $1 s^{2}$ , $1 s^{2} 2 s$ , and $1 s^{2} 2 s^{2}$
Reviews of Modern Physics, 1960
New Method for Calculating Wave Functions in Crystals and Molecules
Physical Review B, 1959
Theory of Separated Electron Pairs
The Journal of Chemical Physics, 1958
A Discussion of Analytic and Hartree-Fock Wave Functions for $1 s^{2}$ Configurations from $H^{-}$ to C v
Physical Review B, 1954
On the ground state of a model for compressed helium
Physica, 1952
Neue Berechnung der Energie des Heliums im Grundzustande, sowie des tiefsten Terms von Ortho-Helium
The European Physical Journal A, 1929