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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,...
שמור ב:
| הוצא לאור ב: | Adv Phys X |
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| Main Authors: | , , , , , , , |
| פורמט: | Artigo |
| שפה: | Inglês |
| יצא לאור: |
2020
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| נושאים: | |
| גישה מקוונת: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7116320/ https://ncbi.nlm.nih.gov/pubmed/33154977 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1080/23746149.2019.1710252 |
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