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Advances in Physics: X Volume 5, 2020 - Issue 1
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Density-functional tight-binding: basic concepts and applications to molecules and clusters

Fernand Spiegelmana Laboratoire de Chimie et Physique Quantiques LCPQ/IRSAMC, UMR5626, Université de Toulouse (UPS) and CNRS, Toulouse, FranceCorrespondence[email protected]
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Nathalie Tarratb CEMES, Université de Toulouse (UPS), CNRS, UPR 8011, Toulouse, Toulouse, FranceORCID Iconhttps://orcid.org/0000-0002-0909-0001
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Jérôme Cunya Laboratoire de Chimie et Physique Quantiques LCPQ/IRSAMC, UMR5626, Université de Toulouse (UPS) and CNRS, Toulouse, FranceORCID Iconhttps://orcid.org/0000-0002-7882-9156
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Leo Dontota Laboratoire de Chimie et Physique Quantiques LCPQ/IRSAMC, UMR5626, Université de Toulouse (UPS) and CNRS, Toulouse, France
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Evgeny Posenitskiyc Laboratoire Collisions Agrégats et Réactivité LCAR/IRSAMC, UMR5589, Université de Toulouse (UPS) and CNRS, Toulouse, FranceORCID Iconhttps://orcid.org/0000-0002-1623-0594
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Carles Martía Laboratoire de Chimie et Physique Quantiques LCPQ/IRSAMC, UMR5626, Université de Toulouse (UPS) and CNRS, Toulouse, France;d Laboratoire de Chimie, UMR5182, Ecole Normale Supérieure de Lyon, Université de Lyon and CNRS, Lyon, FranceORCID Iconhttps://orcid.org/0000-0003-3341-320X
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Aude Simona Laboratoire de Chimie et Physique Quantiques LCPQ/IRSAMC, UMR5626, Université de Toulouse (UPS) and CNRS, Toulouse, FranceORCID Iconhttps://orcid.org/0000-0002-2315-9490
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Mathias Rapaciolia Laboratoire de Chimie et Physique Quantiques LCPQ/IRSAMC, UMR5626, Université de Toulouse (UPS) and CNRS, Toulouse, FranceORCID Iconhttps://orcid.org/0000-0003-2394-6694
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Article: 1710252 | Received 17 Oct 2019, Accepted 19 Dec 2019, Published online: 18 Feb 2020

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