A primer in density functional theory [#225416]

A primer in density functional theory By Carlos Fiolhais, Fernando Nogueira, Miguel A.L. Marques
2010 | 277 Pages | ISBN: 3642057047 | PDF | 4 MB
Density functional theory (DFT) is by now a well-established method for tackling the quantum mechanics of many-body systems. Originally applied tocompute 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.