Dispersion Interactions with Density-Functional Theory: Benchmarking Semiempirical and Interatomic Pairwise Corrected Density Functionals-Reference-Cited by-同舟云学术

Dispersion Interactions with Density-Functional Theory: Benchmarking Semiempirical and Interatomic Pairwise Corrected Density Functionals

Published:2011-11-10 Issue:12 Volume:7 Page:3944-3951
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Marom Noa¹²,Tkatchenko Alexandre³,Rossi Mariana³,Gobre Vivekanand V.³,Hod Oded⁴,Scheffler Matthias³,Kronik Leeor¹

Affiliation:

1. Department of Materials and Interfaces, Weizmann Institute of Science, Rehovoth 76100, Israel

2. Center for Computational Materials, Institute for Computational Engineering and Sciences, University of Texas at Austin, Austin, Texas 78712, United States

3. Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany

4. School of Chemistry, The Sackler Faculty of Exact Sciences, Tel Aviv University, Tel Aviv 69978, Israel

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct2005616

Reference96 articles.

1. A Chemist's Guide to Density Functional Theory

2. Electronic Structure

3. Accurate density functionals: Approaches using the adiabatic-connection fluctuation-dissipation theorem

4. Developing the random phase approximation into a practical post-Kohn–Sham correlation model

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