Comparison of the Harris and the Hohenberg-Kohn-Sham functionals for calculation of structural and vibrational properties of solids.

Polatoglou H.M., Methfessel M.

The Harris energy functional and overlapped free-atom charge densities are used to perform total-energy calculations for Si and C. Accurate results are obtained for elastic constants and photon frequencies. The energy-volume curves for different phases of Si are reproduced well if a slightly contracted free-atom charge density is used.

Physical Review B, 41 5898-903, 1990.

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