"The following lectures were presented as part of Georgia Tech's Summer Lectures Series in Theoretical Chemistry, for new graduate students and for participants in Georgia Tech's Research Experiences for Undergraduates (REU) program sponsored by the National Science Foundation. These lectures focus on electronic structure theory and were prepared by the Sherrill research group. The lectures are being made publicly available in the interests of enhancing education in theoretical and computational chemistry."
If you enjoyed the article you may also want to check out this presentation of Kieron's entitled "Density Functional Theory: A great physics success story"
If you wish to annoy and confuse a traditional quantum chemist, ask “How much correlation is there in the KS wavefunction?”
When teaching chemistry students, I explain that DFT is some algorithm meaning unreliable, while ab initio is Latin for too expensive.
Interestingly, I have recently co-authored an approximation with about 105 “empirical” parameters.111 Don Truhlar, eat your heart out!
Users should stick to the standard functionals (as most do, according to Fig. 1), or explain very carefully why not.
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