Phys. Rev. B 15, 901–908 (1977)Gaussian relaxation method. I. Homopolar tetrahedral solidsReceived 5 October 1976; published in the issue dated 15 January 1977 We present a method for extending an empirical tight-binding theory to the calculation of densities of states of very large but finite systems. We also derive a set of bond-centered analytic wave functions which can be used to obtain realistic energy-dependent charge densities from a tight-binding calculation. As an example, we apply the method to a model homopolar tetrahedral solid representative of Ge. © 1977 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevB.15.901
DOI:
10.1103/PhysRevB.15.901
PACS:
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