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Scaling the spin densities separately in density functional theory

R. J. Magyar·T. K. Whittingham·K. Burke
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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.

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R. J. Magyar, T. K. Whittingham, K. Burke. 2002-03-29. Scaling the spin densities separately in density functional theory. https://doi.org/10.1103/physreva.66.022105

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