Benchmarking several van der Waals dispersion approaches for the description of intermolecular interactions-Reference-Cited by-同舟云学术

Benchmarking several van der Waals dispersion approaches for the description of intermolecular interactions

Published:2018-02-14 Issue:6 Volume:148 Page:064112
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Claudot Julien¹,Kim Won June²^ORCID,Dixit Anant¹^ORCID,Kim Hyungjun³,Gould Tim⁴^ORCID,Rocca Dario⁵,Lebègue Sébastien⁵

Affiliation:

1. Université de Lorraine, CRM2, UMR 7036, 54506 Vandœuvre-lès-Nancy, France

2. CNRS, CRM2, UMR 7036, 54506 Vandœuvre-lès-Nancy, France

3. Department of Chemistry and Graduate School of EEWS, Korea Advanced Institute of Science and Technology, 291 Daehak-ro, Yuseong-gu, Daejeon 34141, South Korea

4. QLD Micro- and Nanotechnology Centre, Griffith University, Nathan, QLD 4111, Australia

5. Université de Lorraine and CNRS, CRM2, UMR 7036, 54506 Vandœuvre-lès-Nancy, France

Funder

French PIA

GENCI-CCRT/CINES

Partnership for Advanced Computing in Europe AISBL

National Research Foundation of Korea

Agence Nationale de la Recherche

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5018818

Reference72 articles.

1. Inhomogeneous Electron Gas

2. Self-Consistent Equations Including Exchange and Correlation Effects

3. Accurate description of van der Waals complexes by density functional theory including empirical corrections

4. Semiempirical GGA-type density functional constructed with a long-range dispersion correction

5. A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Cited by 41 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Efficient DFT prediction of chemical and structural stability using van der Waals correction: application for A₃B₂Ga₃O₁₂ garnets (A = Lu, Y and B = Al, Sc);Journal of Physics: Condensed Matter;2023-12-07

2. Effect of oxygen-containing functional groups at SWCNT on the formation of sodium and lithium dendrites;Surfaces and Interfaces;2023-08

3. Many-body dispersion in model systems and the sensitivity of self-consistent screening;The Journal of Chemical Physics;2023-05-23

4. Modeling coarse‐grained van der Waals interactions using dipole‐coupled anisotropic quantum Drude oscillators;Journal of Computational Chemistry;2023-01-16

5. An assessment of density functionals for predicting CO₂ adsorption in diamine-functionalized metal–organic frameworks;The Journal of Chemical Physics;2022-04-21