ZAB VDW: Difference between revisions

Revision as of 06:51, 8 April 2022

ZAB_VDW = [real]
Default: ZAB_VDW = -0.8491

Description: The tag ZAB_VDW allows to specify the value of the parameter $Z_{ab}$ in the kernel of the non-local vdW correlation functional of Dion et al.^[1]

In a revised version of the vdW correlation functional from Lee et al.^[2], $Z_{ab}=-1.8867$ .

Related tags and articles

VdW-DF functional of Langreth and Lundqvist et al.,PARAM1,PARAM2

Examples that use this tag

↑ M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004).
↑ K. Lee, E. D. Murray, L. Kong, B. I. Lundqvist, and D. C. Langreth, Phys. Rev. B 82, 081101(R) (2010).

[dion:prl:2004-1] M. Dion, H. Rydberg, E. Schröder, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 92, 246401 (2004).

[lee:prb:2010-2] K. Lee, E. D. Murray, L. Kong, B. I. Lundqvist, and D. C. Langreth, Phys. Rev. B 82, 081101(R) (2010).

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@@ Line 2: / Line 2: @@
 {{TAGDEF|ZAB_VDW|[real]|-0.8491}}
-Description: The flag {{TAG|ZAB_VDW}} allows to specify the value of the parameter <math>Z_{ab}</math> in the kernel of the non-local vdW correlation functional of Dion ''et al''.{{cite|dion:prl:2004}}
+Description: The tag {{TAG|ZAB_VDW}} allows to specify the value of the parameter <math>Z_{ab}</math> in the kernel of the non-local vdW correlation functional of Dion ''et al''.{{cite|dion:prl:2004}}
 ----
 In a revised version of the vdW correlation functional from Lee ''et al''.{{cite|lee:prb:2010}}, <math>Z_{ab}=-1.8867</math>.