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Phys. Rev. Lett. 35, 1725–1728 (1975)

Ab Initio Calculation of the Spin Susceptibility for the Alkali Metals Using the Density-Functional Formalism

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S. H. Vosko, J. P. Perdew*, and A. H. MacDonald
Department of Physics and Erindale College, University of Toronto, Toronto, Canada

Received 19 August 1974; revised 2 June 1975; published in the issue dated 22 December 1975

The new variational-principle, density-functional theory of the spin susceptibility χ is used to make a priori calculations of χ for the alkalis. Crystalline effects are calculated by the spherical-cell method and the local spin-density approximation is used for the exchange-correlation functionals. The excellent agreement between the results and recent experiments establishes the validity of this new theory and the correctness of the theoretical values for the exchange-correlation enhancement of χ for a homogeneous electron gas for rs≲5.

© 1975 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.35.1725
DOI:
10.1103/PhysRevLett.35.1725
PACS:

*Present address: Rutgers University, New Brunswick, N. J. 08903.