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DFT overview: Texts

Books Articles Miscellaneous

There are a number of nice texts on DFT and here are some that we have been using. If you have a text that you like and would like to point to, please write a short review and send it to Ann Mattsson.

Books:

• Density functional theory
  R.M. Dreizler and E.K.U. Gross
  (Springer-Verlag, Berlin, 1990)
  ISBN 3-540-51993-9, ISBN 0-387-51993-9
  Comments:
  See also this page.
  This book seems to be out of print (again).
  


• Density-Functional Theory of Atoms and Molecules
  R.G. Parr and W. Yang
  (Oxford University Press, New York, 1994)
  ISBN 0-19-509276-7 (Paperback)
  Oxford University Press (Europe)
  Oxford University Press (US)
  Comments:
  


• A Chemist's Guide to Density Functional Theory
  W. Koch and M.C. Holthausen
  (Wiley-VCH, Weinheim, 2001)
  ISBN 3-527-30372-3 (Paperback)
  Wiley-VCH (Europe)
  Comments:
  


• Electronic Structure
  R.M. Martin
  (Cambridge University Press, Cambridge, 2004)
  ISBN 0-521-78285-6 (Hardback)
  Cambridge University Press
  Comments:
  This book has an associated webpage at ElectronicStructure.org.
  

Articles:

• Inhomogeneous Electron Gas
  P. Hohenberg and W. Kohn
  Phys. Rev. 136, B864 (1964) (Subscription needed).
  


• Self-Consistent Equations Including Exchange and Correlation Effects
  W. Kohn and L.J. Sham
  Phys. Rev. 140, A1133 (1965) (Subscription needed).
  


• Walter Kohn's Nobel lecture:
  Electronic structure of matter--wave functions and density functionals
  Rev. Mod. Phys. 71, 1253 (1999) (Subscription needed).
  

Miscellaneous:

• The 1998 Nobel Prize in Chemistry
• Book for Walter Kohn's 80th birthday