A Primer in Density Functional Theory

John P. Perdew, Stefan Kurth (auth.), Carlos Fiolhais, Fernando Nogueira, Miguel A. L. Marques (eds.)3540030832, 9783540030836

Density functional theory (DFT) is by now a well-established method for tackling the quantum mechanics of many-body systems. Originally applied to compute properties of atoms and simple molecules, DFT has quickly become a work horse for more complex applications in the chemical and materials sciences. The present set of lectures, spanning the whole range from basic principles to relativistic and time-dependent extensions of the theory, is the ideal introduction for graduate students or nonspecialist researchers wishing to familiarize themselves with both the basic and most advanced techniques in this field.

Table of contents :
Density Functionals for Non-relativistic Coulomb Systems in the New Century….Pages 1-55
Orbital-Dependent Functionals for the Exchange-Correlation Energy: A Third Generation of Density Functionals….Pages 56-122
Relativistic Density Functional Theory….Pages 123-143
Time-Dependent Density Functional Theory….Pages 144-184
Density Functional Theories and Self-energy Approaches….Pages 185-217
A Tutorial on Density Functional Theory….Pages 218-256