Main concepts and applications of DFTB approach

Author:

Berdimurodov Elyor,Guo Lei,Kholikov Abduvali,Akbarov Khamdam,Kaya Savaş

Publisher

Elsevier

Reference80 articles.

1. Density-functional tight-binding: basic concepts and applications to molecules and clusters;Spiegelman;Adv. Phys. X,2019

2. Density-functional based tight-binding: an approximate DFT method;Oliveira;J. Braz. Chem. Soc.,2009

3. Density-functional tight binding—an approximate density-functional theory method;Seifert;WIREs Comput. Mol. Sci.,2012

4. Perspective: fifty years of density-functional theory in chemical physics;Becke;J. Chem. Phys.,2014

5. Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals;Mardirossian;Mol. Phys.,2017

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