… (Methods of Electronic-structure Calculations, Wiley, 2000) provide a more comprehensive
description of the range of properties that can be calculated in an electronic structure code, …

… various theoretical approaches and practical methods to calculate the electronic structure of
… worthwhile, because the knowledge of the electronic structure of a system gives access to …

… theory for single-and multi-configurational states* Linear-scaling techniques and the fast
multipole method… of computational methods, with applications to moelcular equilibrium structure, …

… ways of implementing electronic structure (plane waves and grids / localised functions /
augmented methods… The basic theory is clearly explained using a simple 2-band formulation that …

… When density functional theory is used to describe the electronic structure of periodic … which
the theory of electronic structure was worked out. The concept of an electronic band structure …

… electronic structure method, we are clearly entering a new era in which high quality
calculations will be available for increasingly larger molecular structures. The adaptation of the …

… density distribution n(r), instead of the many-electron wave function Ψ(r 1 ,r … electronic
structure of solids, surfaces, defects, etc., it has more recently also become popular with theoretical …

… The focus of this review is to highlight recent advances in applying electronic structure
methods to study and understand optical properties of metal clusters ranging from small clusters …

… at the atomic scale by means of ab initio electronic structure methods. Among various
approaches used, the Linear Muffin-Tin Orbitals method (LMTO) proposed in the seventies by OK …