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

Chem. Soc. Rev., 2019, Advance Article DOI: 10.1039/C9CS00060G, Review ArticleMartin St öhr, Troy Van Voorhis, Alexandre Tkatchenko 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. To cite this article before page numbers are assigned, use the DOI form of citation above. The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Chemical Society Reviews - June 13, 2019 Category: Chemistry Authors: Martin St öhr Source Type: research