Density Functional Theory
Several resources are available for learning about density functional theory (DFT).
Articles on DFT
An Introduction to Density Functional Theory
Perspective on Density Functional Theory
Designing meaningful density functional theory calculations in materials science—a primer
Books on DFT
Density Functional Theory: A Practical Introduction by Sholl and Steckel. A great little book for beginners. Available as an e-book from the WPI library.
Density-Functional Theory of Atoms and Molecules by Parr and Yang. Thorough mathematical description of DFT. Not for the beginner.
Modern Quantum Chemistry by Szabo and Ostlund. Not focused on DFT, but it does provide the mathematical background to understand the method.
Electronic Structure Theory: Basic Theory and Practical Methods by Martin. One of the best books for understanding how DFT can be applied to solids.
Quantum Chemistry by Levine. Not focused exclusively on DFT, but one of the best books for the beginner to learn about computational and quantum chemistry.
Modeling materials using density functional theory John Kitchin's DFT book; available for download. Lots of good examples and exercises.
Web pages on DFT
MIT course An online course (with video lectures) on computer modeling of materials.
