Scaling the spin densities separately in density functional theory
Materials Science
2009-11-07 v1
Abstract
Coordinate scaling of each spin density separately is considered in spin density functional theory. A virial theorem relates the spin-scaled correlation energy to the spin-scaled correlation potentials. An adiabatic connection formula expresses energies at different spin interaction strengths in terms of spin scaling. Several popular approximate functionals are evaluated on the spin-scaled densities of atoms and of the uniform electron gas. The differences between this and uniform scaling are discussed.
Cite
@article{arxiv.cond-mat/0203611,
title = {Scaling the spin densities separately in density functional theory},
author = {R. J. Magyar and T. K. Whittingham and K. Burke},
journal= {arXiv preprint arXiv:cond-mat/0203611},
year = {2009}
}
Comments
9 pages, 6 figures