Category:Van der Waals functionals

Theoretical background

${\displaystyle E_{\text{xc}}=E_{\text{xc}}^{\text{SL/hybrid}}+E_{\text{c,disp}},}$

van der Waals corrections

• DFT-D2 method.
• DFT-D3 method.
• DDsC dispersion correction.
• Many-body dispersion energy.
• Tkatchenko-Scheffler method.
• Tkatchenko-Scheffler method with iterative Hirshfeld partitioning.
• Self-consistent screening in Tkatchenko-Scheffler method.
• VdW-DF functional of Langreth and Lundqvist et al.

How to

• Main tag for van der Waals algorithm: IVDW
• DFT-D2 method.
• DFT-D3 method.
• DDsC dispersion correction.
• Many-body dispersion energy.
• Tkatchenko-Scheffler method.
• Tkatchenko-Scheffler method with iterative Hirshfeld partitioning.
• Self-consistent screening in Tkatchenko-Scheffler method.
• VdW-DF functional of Langreth and Lundqvist et al.