A Primer in Density Functional Theory

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

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.

Details

Published by: Springer

Publication Date: 2010-12-07

Format: Paperback

ISBN-13: 9783642057045

DOI: 10.1007/3-540-37072-2

Dimensions: 235.0cm x155.0cm

Pages: 258.0