Computational Nanoscience, Lecture 17: Tight-Binding, and Moving Towards Density Functional Theory
Category
Published on
Abstract
The purpose of this lecture is to illustrate the application of the Tight-Binding method to a simple system and then to introduce the concept of Density Functional Theory. The motivation to mapping from a wavefunction to a density-based description of atomic systems is provided, and the necessary ingredients to do so (two Hohenberg-Kohn Theorems and the Kohn-Sham formalism) is presented.
Credits
University of California, Berkeley
Cite this work
Researchers should cite this work as follows: