Abstract
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.
- Received 5 October 1976
DOI:https://doi.org/10.1103/PhysRevB.15.901
©1977 American Physical Society
