Category:Exchange-correlation functionals: Difference between revisions

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In density functional theory (DFT)^[1]^[2]

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 "Exchange-correlation functionals"

The following 118 pages are in this category, out of 118 total.

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ZAB VDW

[hohenberg:pr:1964-1] P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).

[kohn:pr:1965-2] W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).

[1]

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	~~edfeff~~		In density functional theory (DFT){{cite\|hohenberg:pr:1964}}{{cite\|kohn:pr:1965}}

	== Theoretical Background ==		== Theoretical Background ==

Revision as of 09:27, 18 January 2022

Theoretical Background

How to

Subcategories

D

G

H

M

V

Pages in category "Exchange-correlation functionals"

A

B

C

D

E

G

H

I

L

M

N

O

P

R

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X

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