Theory and practice of modeling van der Waals interactions in electronic-structure calculations-Reference-Cited by-同舟云学术

Theory and practice of modeling van der Waals interactions in electronic-structure calculations

Published:2019 Issue:15 Volume:48 Page:4118-4154
ISSN:0306-0012
Container-title:Chemical Society Reviews
language:en
Short-container-title:Chem. Soc. Rev.

Author:

Stöhr Martin¹²³⁴^ORCID,Van Voorhis Troy⁵⁶⁷⁸,Tkatchenko Alexandre¹²³⁴^ORCID

Affiliation:

1. Physics and Materials Science Research Unit

2. University of Luxembourg

3. L-1511 Luxembourg

4. Luxembourg

5. Department of Chemistry

6. Massachusetts Institute of Technology

7. Cambridge

8. USA

Abstract

Opening the black box of van der Waals-inclusive electronic structure calculations: a tutorial-style introduction to van der Waals dispersion interactions, state-of-the-art methods in computational modeling and complementary experimental techniques.

Funder

National Science Foundation

Fonds National de la Recherche Luxembourg

H2020 European Research Council

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2019/CS/C9CS00060G

Reference363 articles.

1. Van der Waals interactions in solids using the exchange-hole dipole moment model

2. Scaling laws for van der Waals interactions in nanostructured materials

3. van der Waals dispersion interactions in molecular materials: beyond pairwise additivity

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