Scaling the spin densities separately in density functional theory

Details Scaling the spin densities separately in density functional theory Scaling the spin densities separately in density functional theory

2002-03-29

arxiv.org/abs/cond-mat/0203611v1

Physics

Condensed Matter

Materials Science

9 pages, 6 figures

Scientific paper

10.1103/PhysRevA.66.022105

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.

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