First-Principles-Based Thermodynamic Description of Solid Copper Using   the Tight-Binding Approach
  A tight-binding model is fit to first-principles calculations for copper that include structures distorted according to elastic constants and high-symmetry phonon modes. With the resulting model the first-principles-based phonon dispersion and the free energy are calculated in the quasi-harmonic approximation. The resulting thermal expansion, the temperature- and volume-dependence of the elastic constants, the Debye temperature, and the Gruneisen parameter are compared with available experimental data. 
Sven P. Rudin, M. D. Jones, C. W. Greeff, and R. C. Albers