3. Excited States from Time-Dependent Density Functional Theory

  1. Kenny B. Lipkowitz4 and
  2. Thomas R. Cundari5
  1. Peter Elliott1,
  2. Filipp Furche2 and
  3. Kieron Burke3

Published Online: 6 JAN 2009

DOI: 10.1002/9780470399545.ch3

Reviews in Computational Chemistry, Volume 26

Reviews in Computational Chemistry, Volume 26

How to Cite

Elliott, P., Furche, F. and Burke, K. (2009) Excited States from Time-Dependent Density Functional Theory, in Reviews in Computational Chemistry, Volume 26 (eds K. B. Lipkowitz and T. R. Cundari), John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/9780470399545.ch3

Editor Information

  1. 4

    Office of Naval Research, 875 North Randolph Street, Arlington, VA 22203-1995, USA

  2. 5

    Department of Chemistry, University of North Texas, Box 305070, Denton, Texas 76203-5070, USA

Author Information

  1. 1

    Department of Physics and Astronomy, Frederick Reines Hall, University of California-Irvine, Irvine, CA 92697 USA

  2. 2

    Institut für Physikalische Chemie, Universität Karlsruhe, Kaiserstrasse 12, D-76131 Karlsruhe, Germany

  3. 3

    Department of Chemistry, University of California-Irvine, 1102 Natural Sciences 2, Irvine, CA 92697 USA

Publication History

  1. Published Online: 6 JAN 2009
  2. Published Print: 20 OCT 2008

ISBN Information

Print ISBN: 9780470388396

Online ISBN: 9780470399545

SEARCH

Keywords:

  • time-dependent density functional theory (TDDFT);
  • implementation and basis sets;
  • electron transport through single molecules and future nanotechnology

Summary

This chapter contains sections titled:

  • Introduction

  • Ground-State Review

  • Time-Dependent Theory

  • Implementation and Basis Sets

  • Performance

  • Atoms as a Test Case

  • Beyond Standard Functionals

  • Other Topics

  • Summary

  • Acknowledgments

  • References