Study of the electron gas approximation
- 1 March 1974
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 60 (5), 1842-1850
- https://doi.org/10.1063/1.1681283
Abstract
We test the applicability to atoms of the uniform electron gas energy expression in terms of the local atomic electron density. By using the known atomic electron densities obtained from an independent method (Hartree‐Fock) for the density in the electron gas energy expression, we calculate some atomic energies, one‐electron energies, and atomic ionization potentials and compare the results with the Hartree‐Fock energy values. We calculate the local kinetic energy and exchange energy densities in Hartree‐Fock atoms, and compare these results with the corresponding electron gas energy densities. We suggest a simple correction to the electron gas energy to be used for systems not paired in spin, and test this correction. We examine the effect of the finiteness of the atoms by treating a uniform electron gas with a finite number of electrons.Keywords
This publication has 17 references indexed in Scilit:
- Analysis of the Electronic Exchange in AtomsPhysical Review A, 1972
- Exchange- and Correlation-Energy Calculations in Finite SystemsPhysical Review A, 1971
- Correlation Energy in Atomic Systems. V. Degeneracy Effects for the Second-Row AtomsThe Journal of Chemical Physics, 1968
- Correlation Energy of an Electron Gas with a Slowly Varying High DensityPhysical Review B, 1968
- Effect of Correlation on the One-Electron Wave Function in AtomsPhysical Review B, 1965
- Ground-State Energy of a High-Density Electron GasPhysical Review B, 1964
- Correlation Effects in AtomsPhysical Review B, 1963
- Anharmonic Contribution to the Energy of a Dilute Electron Gas—Interpolation for the Correlation EnergyPhysical Review B, 1961
- Bemerkung zur Elektronentheorie des Ferromagnetismus und der elektrischen Leitf higkeitThe European Physical Journal A, 1929
- Eine statistische Methode zur Bestimmung einiger Eigenschaften des Atoms und ihre Anwendung auf die Theorie des periodischen Systems der ElementeThe European Physical Journal A, 1928