Small Basis Set Allowing the Recovery of Dispersion Interactions with Double-Hybrid Functionals-Reference-Cited by-同舟云学术

Small Basis Set Allowing the Recovery of Dispersion Interactions with Double-Hybrid Functionals

Published:2019-03-28 Issue:5 Volume:15 Page:2944-2953
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Garcı́a Juan Sanz¹,Brémond Éric²^ORCID,Campetella Marco¹,Ciofini Ilaria¹^ORCID,Adamo Carlo¹³^ORCID

Affiliation:

1. Chimie ParisTech, PSL Research University, CNRS, Institute of Chemistry for Life and Health Sciences, 11, rue Pierre et Marie Curie, F-75005 Paris, France

2. Univ Paris Diderot, Sorbonne Paris Cité, ITODYS, UMR CNRS 7086, 15 rue J.-A. de Baïf, F-75013 Paris, France

3. Institut Universitaire de France, 103 Boulevard Saint Michel, F-75005 Paris, France

Funder

H2020 European Research Council

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b01203

Reference82 articles.

1. Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals

2. Challenges for Density Functional Theory

3. Density Functionals with Broad Applicability in Chemistry

4. Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory

5. Blind test of density-functional-based methods on intermolecular interaction energies

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