The origin of the pseudopotential density functional method. Perspective on “Microscopic theory of phase transformation and lattice dynamics of Si”

Abstract

This paper provides an overview of the title paper by Yin and Cohen. I will briefly review some of the background for this work, provide some details of the calculations and discuss how this paper has influenced the field. In particular, this paper led to the development of the first realistic calculations for the structural energies of solids. It was the origin of the pseudopotential density functional method applied to the solid state.