ABSTRACT
In this chapter, we shall discuss methods of electronic structure calculations which are based on muffin-tin potentials such as the KKR and APW methods. A muffin-tin potential is a spherically symmetric potential within a sphere and zero outside the sphere as shown in Figure 6.3. We begin with an introduction to the single particle Green’s function in Section 7.2, which we need for discussion of the KKR method and theory of disordered alloys in the next chapter. In Section 7.3, we discuss how to handle perturbations using Green’s function. In Section 7.4, we give an example of calculation of Green’s function for the 3-dimensional electron gas. In Sections 7.5 and 7.6, we discuss the KKR and LMTO methods. In Sections 7.7 and 7.8, the APW and the LAPW methods are discussed. In Section 7.9, we briefly discuss the basic principles of linear scaling methods.
