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Density functional theory, and Kohn Sham equations

  1. Aug 14, 2006 #1
    Hi, i am looking for papers, books, etc, related with the Density functional theory, and Kohn Sham equations, i appreciate any help. Thanks. :rolleyes:
  2. jcsd
  3. Aug 15, 2006 #2


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    Er... you should explain a little bit more here. Did you try looking for them yourself and couldn't find them? Do you have access to physics journals? If you don't, there's no point in people giving you references to those. If you do, did you try doing your own search and didn't find any? Etc etc...

    There are many available on the web from just a simple search:


  4. Aug 17, 2006 #3
    The Atkins book is pretty good about deriving the ab initio methods.
  5. Mar 11, 2007 #4
    The basis of understanding DFT is hatree-fock formalism. Therefore if you want to get complete picture of how DFT gets around problems of hatree-fock, i would recomment you to read any general book on quantum chemistry which treats hatree-fock mathematically.
    Its a brave step to start from the very basic steps of its formalism but it pays well in seeing thebig picture.

    good luck
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