Effect of the damping function in dispersion corrected density functional theory
By Stefan Grimme, Stephan Ehrlich, Lars Goerigk. 2011
22,130 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics, Inorganic Chemistry, Physical and Theoretical Chemistry
How researchers see this paper
The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.
In Atomic and Molecular Physics, and Optics
- Roberto Peverati
- Stefan Grimme
- Donald G. Truhlar
- Andreas Hansen
- Christoph Bannwarth
- Qinxue Chen
- Tian Lu
- Sebastian Ehlert
In Inorganic Chemistry
- Donald G. Truhlar
- Roberto Peverati
- Tian Lu
- Qinxue Chen
- Christoph Bannwarth
- Andreas Hansen
- R. Seshadri
- B. Ortiz
In Physical and Theoretical Chemistry
- Roberto Peverati
- Qinxue Chen
- Stefan Grimme
- Tian Lu
- Donald G. Truhlar
- Christoph Bannwarth
- Andreas Hansen
- Micael J. T. Oliveira
Citations in the corpus
- Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physics (2012, methodology): “Even there though, it was found that a special reparametrization was required to treat ionic surfaces [83], and then the D3 method was further improved by the D3(BJ) method [84].”
- Independent gradient model based on Hirshfeld partition: A new method for visual study of interactions in chemical systems (2021, methodology): “1[48] was employed for the DFT calculations using PBE-D3(BJ) exchange-correlation functional[50, 56] with 6-311G** basis set.”