A Primer in Density Functional Theory

by Fiolhais, Carlos; Nogueira, Fernando; Marques, Miguel A. L.

• ISBN13: 9783642057045
• ISBN10: 3642057047
• Format: Paperback
• Copyright: 2010-12-01
• Publisher: Springer Nature

Summary

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.