Legendre-transform functionals for spin-density-functional theory.

  title={Legendre-transform functionals for spin-density-functional theory.},
  author={Paul W. Ayers and Weitao Yang},
  journal={The Journal of chemical physics},
  volume={124 22},
We provide a rigorous proof that the Hohenberg-Kohn theorem holds for spin densities by extending Lieb's Legendre-transform formulation to spin densities. The resulting spin-density-functional theory resolves several troublesome issues. Most importantly, the present paper provides an explicit construction for the spin potentials at any point along the adiabatic connection curve, thus providing a formal basis for the use of exchange-correlation functionals of the spin density in the Kohn-Sham… CONTINUE READING