A Primer in Density Functional Theory
Author | : Carlos Fiolhais |
Publisher | : Springer Science & Business Media |
Total Pages | : 290 |
Release | : 2003-06-11 |
ISBN-10 | : 9783540030836 |
ISBN-13 | : 3540030832 |
Rating | : 4/5 (36 Downloads) |
Book excerpt: 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.