A Fractionally Ionic Approach to Polarizability and van der Waals Many-Body Dispersion Calculations-Reference-Cited by-同舟云学术

A Fractionally Ionic Approach to Polarizability and van der Waals Many-Body Dispersion Calculations

Published:2016-12-01 Issue:12 Volume:12 Page:5920-5930
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Gould Tim¹,Lebègue Sébastien²³,Ángyán János G.²³⁴,Bučko Tomáš⁵⁶

Affiliation:

1. Qld Micro- and Nanotechnology Centre, Griffith University, Nathan, Qld 4111, Australia

2. Université de Lorraine, Vandœuvre-lès-Nancy, F-54506, France

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

4. Department of General and Inorganic Chemistry, Pannon University, Veszprém H-8201, Hungary

5. Department of Physical and Theoretical Chemistry, Faculty of Natural Sciences, Comenius University in Bratislava, Mlynská Dolina, Ilkovičova 6, SK-84215 Bratislava, Slovakia

6. Institute of Inorganic Chemistry, Slovak Academy of Sciences, Dúbravská cesta 9, SK-84236 Bratislava, Slovakia

Funder

Université de Lorraine

Griffith University

European Social Fund

Agentúra na Podporu Výskumu a Vývoja

Magyarország Kormánya

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00925

Reference79 articles.

1. Constraint Satisfaction in Local and Gradient Susceptibility Approximations: Application to a van der Waals Density Functional

2. Density functional theory including Van Der Waals forces

3. van der Waals Interactions in Density-Functional Theory

4. Van der Waals Density Functional for General Geometries

5. Van der Waals density functional theory with applications

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