Construct · 1 fields · 1 citations

DFT-D dispersion correction: a standalone construct

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Computational chemistry

an added atom-pairwise dispersion energy that corrects density functionals for missing long-range London attraction.

In computational chemistry, DFT-D dispersion correction refers to an added atom-pairwise dispersion energy that corrects density functionals for missing long-range London attraction. This meaning comes from Grimme (2010) in The Journal of Chemical Physics.[1]

Unit
Recovery means
Measured by

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Nearby constructs

attraction3 fields · 5 citationsjingle · one word, three constructs density4 fields · 6 citationsjingle · one word, four constructs dispersion4 fields · 6 citationsjingle · one word, four constructs

References

Grimme, S., Antony, J., Ehrlich, S., & Krieg, H. (2010). A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu. The Journal of Chemical Physics, 132(15). https://doi.org/10.1063/1.3382344

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