TIGHT-BINDING MODELLING OF MATERIALS

@inproceedings{Goringe1997TIGHTBINDINGMO,
  title={TIGHT-BINDING MODELLING OF MATERIALS},
  author={C. M. Goringe and David R. Bowler and Eduardo Hern{\'a}ndez},
  year={1997}
}
The tight-binding method of modelling materials lies between the very accurate, very expensive, ab initio methods and the fast but limited empirical methods. When compared with ab initio methods, tight-binding is typically two to three orders of magnitude faster, but suffers from a reduction in transferability due to the approximations made; when compared with empirical methods, tight-binding is two to three orders of magnitude slower, but the quantum mechanical nature of bonding is retained… CONTINUE READING