Developments in the density-functional theory of electronic structure

Density-functional theory has provided a robust and practical framework for microscopic calculations of electronic structure and atomic bonding in con densed matter. On the microscopic level, it is being extended to situations such as nonconventional bonds, dielectrics, time-dependent phenomena, exci tations, and novel magnetic systems. It is also being incorporated into mul tiscale modelling by coupling it to coarse-grained and continuum simulation s of materials. (C) 2000 Elsevier Science Ltd. All rights reserved.