Fundamentals of Time-Dependent Density Functional Theory pp 391-400

Part of the Lecture Notes in Physics book series (LNP, volume 837)

The Projector Augmented Wave Method

  • Lauri Lehtovaara
Chapter

Abstract

DFT and TDDFT calculations are computationally intensive, and therefore, many different strategies are employed to reduce the computational burden. As the cost of a (TD)DFT calculation depends heavily on the number of degrees of freedom and active electrons, both should be minimized to speed up calculations while still reproducing the chemical and physical properties of interest.

Copyright information

© Springer-Verlag Berlin Heidelberg  2012

Authors and Affiliations

  • Lauri Lehtovaara
    • 1
  1. 1.Laboratoire de Physique de la Matière Condensée et NanostructuresUniversity Claude Bernard Lyon 1, CNRSVilleurbanne Cedex,France

Personalised recommendations