Dismiss Notice
Join Physics Forums Today!
The friendliest, high quality science and math community on the planet! Everyone who loves science is here!

A Density Functional Theory (DFT) textbooks

  1. Sep 8, 2016 #1
    I'm starting out on DFT right now.
    I'm an experimental Physics student, so I'm not very familiar with theories.
    Can you recommend any good textbooks or resources that I can utilize for my study??

    Thanks in advance.
  2. jcsd
  3. Sep 8, 2016 #2


    User Avatar
    Science Advisor
    Gold Member

    Density Functional Theory of Atoms and Molecules by Parr and Yang is one of the standards for DFT as applied to quantum chemistry. I'm less familiar with solid state DFT methods. Some things are easier (choice of basis set) and some things are harder (k space formalism), but many of the basic ideas transfer over.
  4. Sep 8, 2016 #3
    In my opinion "Density Functional Theory: A Practical Introduction" by David Sholl is a very good and well-written textbook for DFT. In this book you can select either superficial or careful study of DFT and the author gives a very significant guide for the way you want to read the book. Some of the chapters are set in such a way that are not strongly dependent together.
Share this great discussion with others via Reddit, Google+, Twitter, or Facebook

Have something to add?
Draft saved Draft deleted