Linear Methods in Band Theory

Abstract

We would like to improve our understanding of the behaviour of real solids. Why do atoms combine into molecules and solids in the way they do and what is the response of these aggregates of atoms to external fields, stress, temperature, etc. ? Answers to such questions would, for instance, be a useful guide in our, so far mostly empirical, search for new and better materials Stronger materials, materials which corrode less, better catalysts, better magnets, better semi- or superconductors, and, materials with properties unknown today. I expect that future advances in this field will be aided by insight obtained from calculations of the electronic structure.