Scaling the spin densities separately in density-functional theory

R. J. Magyar, T. K. Whittingham, and K. Burke
Phys. Rev. A 66, 022105 – Published 7 August 2002
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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.

  • Received 28 March 2002

DOI:https://doi.org/10.1103/PhysRevA.66.022105

©2002 American Physical Society

Authors & Affiliations

R. J. Magyar

  • Department of Physics and Astronomy, Rutgers University, 136 Frelinghuysen Road, Piscataway, New Jersey 08854

T. K. Whittingham and K. Burke

  • Department of Chemistry and Chemical Biology, Rutgers University, 610 Taylor Road, Piscataway, New Jersey 08854

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Vol. 66, Iss. 2 — August 2002

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