Introduction to DFT calculations of electronic structure: Some do's and don'ts
Presenter
September 13, 2017
Abstract
Kieron Burke
University of California, Irvine (UCI)
I will explain what DFT is, why it works, and why it is a standard practical
approach to electronic structure problems. Useful references include a review
for anyone with a background in quantum mechanics[1] and recorded CECAM lectures on the theoretical underpinnings[2].
[1] DFT in a nutshell Kieron Burke, Lucas O. Wagner, Int. J. Quant. Chem. 113, 96-101 (2013)
[2] https://www.cecam.org/workshop-9-1326.html