Density-functional tight-binding: basic concepts and applications to molecules and clusters-Reference-Cited by-同舟云学术

Density-functional tight-binding: basic concepts and applications to molecules and clusters

Published:2020-01-01 Issue:1 Volume:5 Page:1710252
ISSN:2374-6149
Container-title:Advances in Physics: X
language:en
Short-container-title:Advances in Physics: X

Author:

Spiegelman Fernand¹^ORCID,Tarrat Nathalie²^ORCID,Cuny Jérôme¹^ORCID,Dontot Leo¹,Posenitskiy Evgeny³^ORCID,Martí Carles¹⁴^ORCID,Simon Aude¹^ORCID,Rapacioli Mathias¹^ORCID

Affiliation:

1. Laboratoire de Chimie et Physique Quantiques LCPQ/IRSAMC, UMR5626, Université de Toulouse (UPS) and CNRS, Toulouse, France

2. CEMES, Université de Toulouse (UPS), CNRS, UPR 8011, Toulouse, Toulouse, France

3. Laboratoire Collisions Agrégats et Réactivité LCAR/IRSAMC, UMR5589, Université de Toulouse (UPS) and CNRS, Toulouse, France

4. Laboratoire de Chimie, UMR5182, Ecole Normale Supérieure de Lyon, Université de Lyon and CNRS, Lyon, France

Funder

European Commission

PIA EUR NanoX / Next

Publisher

Informa UK Limited

Subject

General Physics and Astronomy

Link

https://www.tandfonline.com/doi/pdf/10.1080/23746149.2019.1710252

Reference382 articles.

1. Inhomogeneous Electron Gas

2. Density Functional Theory

3. On degeneracy, near-degeneracy and density functional theory

4. Self-Consistent Equations Including Exchange and Correlation Effects

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