Density-functional tight-binding: basic concepts and applications to molecules and clusters
The scope of this article is to present an overview of the Density Functional based Tight Binding (DFTB) method and its applications. The paper introduces the basics of DFTB and its standard formulation up to second order. It also addresses methodological developments such as third order expansion,...
| Main Authors: | , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Taylor & Francis Group
2020-01-01
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| Series: | Advances in Physics: X |
| Subjects: | |
| Online Access: | http://dx.doi.org/10.1080/23746149.2019.1710252 |