LECTURE NOTES IN DENSITY FUNCTIONAL THEORY (GAMMA)

Please find below various chapters of the density functional book being developed by Kieron Burke. These are being turned into a delta version right now. Copyright by Kieron Burke, and these notes may not be reproduced for anything other than individual use. They should be particularly good for users, who wish to understand the fundamental theory in a little more depth, in order to make intelligent decisions about which calculations to run. They should also be useful for developers, in allowing new students and postdocs to teach themselves basic DFT any time, on their own.

Nobel lectures on DFT, including many useful references.


Entire book, but with patches missing and needing rewriting. (pdf). WATCH OUT, its 104 pages. For solutions to the exercises, please email Kieron at kieron@uci.edu


References:
Density Functional Theory, R.M. Dreizler and E.K.U. Gross (Springer-Verlag, Berlin, 1990).
Density Functional Theory of Atoms and Molecules, R.G. Parr and W. Yang (Oxford, New York, 1989).
A chemist's guide to density functional theory, W. Koch and M.C. Holthausen, (Wiley-VCH, Weinheim, 2000).
Intro article by Perdew and Kurth (ps).
A Primer in Density Functional Theory , ed. C. Fiolhais, F. Nogueira, and M. Marques (Springer-Verlag, NY, 2003).
Time-dependent density functional theory, ed. M. Marques, C.A. Ullrich, F. Noguiera, A. Rubio, K. Burke, and E.K.U. Gross (Springer, Heidelberg, 2006).