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Category:XC Functionals
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Theoretical Background
- Hybrid functionals: Hartree-Fock and HF/DFT hybrid functionals.
- L(S)DA (on-site interactions): LDAUTYPE.
- van der Waals:
How to
- Hybrid functionals: Specific hybrid functionals.
- Meta GGA's: METAGGA.
- L(S)DA (on-site interactions): LDAUTYPE.
- van der Waals:
- 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.
Subcategories
This category has the following 5 subcategories, out of 5 total.
Pages in category "XC Functionals"
The following 63 pages are in this category, out of 63 total.