Quasi-localized representation of electronic band structures in cubic crystals

Tabulated results and formulae are given for the parametrization of electronic band structures in simple cubic, body-centered cubic and face-centred cubic systems. This technique is based on the decoupling transformation and does not involve least squares fitting.A band labelling scheme is introduced which allows the decoupling transformation to be used to define the energy matrix of Wannier states in copper. This approach is used to re-examine the significance of the tight binding approximation for the d-states and to relate Fermi surface parameters directly to calculated band energies.