Basics of the density functional theory
The density functional theory (DFT) established itself as a well reputed way to compute the electronic structure in most branches of chemistry and materials science. In the formulation given by Kohn, Hohenberg and Sham in the 1960's, the many-electron wave function is replaced by the electron d...
| Main Author: | |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
AIMS Press
2017-12-01
|
| Series: | AIMS Materials Science |
| Subjects: | |
| Online Access: | http://www.aimspress.com/Materials/article/1760/fulltext.html |