This is a latex version of my reading notes on Density Functional Theory. I've been trying a bunch of different techniques to produce new research. Among these techniques that are self-taught, DFT seems to be a numerical method that is fairly easy to internalize conceptually. The notes here are made when I was reading the following resources:
[1] Sholl, David, and Janice A. Steckel. Density functional theory: a practical introduction. John Wiley & Sons, 2011.
[2] Kim, Min-Cheol, Eunji Sim, and Kieron Burke. "Understanding and reducing errors in density functional calculations." Physical review letters 111.7 (2013): 073003.
[3] P. H. T. Philipsen and E. J. Baerends, Relativistic Calculations to Assess the Ability of the Generalized Gradient Approximation to Reproduce Trends in Cohesive Properties of Solids, Phys. Rev. B 61 (2000), 1773.
[4] DFT+U calculations and several approaches to determining the parameter (U–J) are described in the study by Da Silva et al. cited above and also by N. J. Mosey and E. A. Carter, Phys. Rev. B 76 (2007), 155123. Developments and future challenges in this topic area are reviewed in P. Huang and E. A. Carter, Ann. Rev. Phys. Chem. 59 (2008), 261.
[5] Kittel, Charles. Introduction to solid state physics. Vol. 8. New York: Wiley, 1976.
[6] Chatfield, David. "Christopher J. Cramer: Essentials of Computational Chemistry: Theories and Models." Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) 108.6 (2002): 367-368.