International Journal

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

Authors

Stefan Grimme, Jens Antony, Stephan Ehrlich, Helge Krieg

Journal

The Journal of Chemical Physics

Year Published

2010

Publisher

American Institute of Physics

Citations

59633 citations

Type

Article

Language

EN

Topics & Concepts

Density functional theory (0.70) Dispersion (optics) (0.57) Ab initio (0.50) Parametrization (atmospheric modeling) (0.49) Intramolecular force (0.47)

Abstract

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu - Full text available via OpenAlex

Author Details

Stefan Grimme

ORCID

Jens Antony

Stephan Ehrlich

ORCID

Helge Krieg

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