Category:Van der Waals functionals: Difference between revisions
(→Theory) |
No edit summary |
||
| Line 1: | Line 1: | ||
== | == Theoretical background == | ||
== van der Waals corrections == | |||
*{{TAG|DFT-D2}} method. | *{{TAG|DFT-D2}} method. | ||
*{{TAG|DFT-D3}} method. | *{{TAG|DFT-D3}} method. | ||
Revision as of 13:26, 10 March 2022
Theoretical background
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.
Pages in category "Van der Waals functionals"
The following 58 pages are in this category, out of 58 total.
B
C
H
L
- LIBMBD ALPHA
- LIBMBD C6AU
- LIBMBD K GRID
- LIBMBD K GRID SHIFT
- LIBMBD MBD A
- LIBMBD MBD BETA
- LIBMBD METHOD
- LIBMBD N OMEGA GRID
- LIBMBD PARALLEL MODE
- LIBMBD R0AU
- LIBMBD TS D
- LIBMBD TS SR
- LIBMBD VDW PARAMS KIND
- LIBMBD XC
- LSCALER0
- LSCSGRAD
- LSPIN VDW
- LTSSURF
- LUSE VDW
- LVDW EWALD
- LVDW ONECELL
- LVDWEXPANSION
- LVDWSCS