Relationship between the Coulomb integralUand the Stoner parameterI
- 8 November 1993
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 71 (19) , 3214-3217
- https://doi.org/10.1103/physrevlett.71.3214
Abstract
Orbital Hartree-Fock and the local spin density approximations to exchange are compared. The self-exchange intergrals calculated from the Hartree-Fock approximation are far larger than those calculated from the local spin density approximation. We suggest that, in metals where the exchange integrals are well shielded, a suitable functional for exchange may be obtained by scaling the orbital Hartree-Fock approximation to the local spin density approximation while retaining the stronger orbital dependence. Application to Fe and US produces good agreement with measurements.Keywords
This publication has 41 references indexed in Scilit:
- Calculation of parameters in model HamiltoniansPhysical Review B, 1990
- Exchange integral matrices and cohesive energies of transition metal atomsJournal of Physics F: Metal Physics, 1983
- Uniform susceptibilities of metallic elementsPhysical Review B, 1977
- Band model for magnetism of transition metals in the spin-density-functional formalismJournal of Physics F: Metal Physics, 1976
- Self-Consistent Equations Including Exchange and Correlation EffectsPhysical Review B, 1965
- Inhomogeneous Electron GasPhysical Review B, 1964
- Electron correlations in narrow energy bandsProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1963
- Localized Magnetic States in MetalsPhysical Review B, 1961
- Collective electron ferromagnetism II. Energy and specific heatProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1939
- Collective electron specific heat and spin paramagnetism in metalsProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1936