Interpretation of van der Waals density functionals

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Fältnamn	Indikatorer	Metadata
000		03417naa a2200505 4500
001		oai:DiVA.org:mau-2280
003		SwePub
008		200227s2014 \| \|\|\|\|\|\|\|\|\|\|\|000 \|\|eng\|
009		oai:research.chalmers.se:85b7f70d-4c05-4025-aed1-1221bae2d706
024	7	a https://urn.kb.se/resolve?urn=urn:nbn:se:mau:diva-22802 URI
024	7	a https://doi.org/10.1103/PhysRevB.90.0751482 DOI
024	7	a https://research.chalmers.se/publication/2033722 URI
040		a (SwePub)maud (SwePub)cth
041		a engb eng
042		9 SwePub
072	7	a ref2 swepub-contenttype
072	7	a art2 swepub-publicationtype
100	1	a Hyldgaard, Per,d 1964u Malmö högskola,Institutionen för materialvetenskap och tillämpad matematik (MTM),Chalmers tekniska högskola,Chalmers University of Technology4 aut0 (Swepub:cth)hyldgaar
245	1 0	a Interpretation of van der Waals density functionals
264	1	b American Physical Society,c 2014
338		a electronic2 rdacarrier
520		a The nonlocal correlation energy in the van der Waals density functional (vdW-DF) method can be interpreted in terms of a coupling of zero-point energies of characteristic modes of semilocal exchange-correlation (xc) holes. These xc holes reflect the internal functional in the framework of the vdW-DF method. We explore the internal xc hole components, showing that they share properties with those of the generalized-gradient approximation. We use these results to illustrate the nonlocality in the vdW-DF description and analyze the vdW-DF formulation of nonlocal correlation.
650	7	a NATURVETENSKAPx Fysik0 (SwePub)1032 hsv//swe
650	7	a NATURAL SCIENCESx Physical Sciences0 (SwePub)1032 hsv//eng
650	7	a NATURVETENSKAPx Kemix Teoretisk kemi0 (SwePub)104072 hsv//swe
650	7	a NATURAL SCIENCESx Chemical Sciencesx Theoretical Chemistry0 (SwePub)104072 hsv//eng
650	7	a TEKNIK OCH TEKNOLOGIERx Nanoteknik0 (SwePub)2102 hsv//swe
650	7	a ENGINEERING AND TECHNOLOGYx Nano-technology0 (SwePub)2102 hsv//eng
650	7	a NATURVETENSKAPx Fysikx Den kondenserade materiens fysik0 (SwePub)103042 hsv//swe
650	7	a NATURAL SCIENCESx Physical Sciencesx Condensed Matter Physics0 (SwePub)103042 hsv//eng
653		a van der Waals forces
653		a Quantum Chemistry
653		a Density Functional Theory
653		a vdW-DF
653		a Sparse matter interactions
700	1	a Berland, Kristian,d 1983u Chalmers tekniska högskola,Chalmers University of Technology4 aut0 (Swepub:cth)berland
700	1	a Schröder, Elsebeth,d 1966u Chalmers tekniska högskola,Chalmers University of Technology4 aut0 (Swepub:cth)schroder
710	2	a Malmö högskolab Institutionen för materialvetenskap och tillämpad matematik (MTM)4 org
773	0	t Physical Review B. Condensed Matter and Materials Physicsd : American Physical Societyg 90:7q 90:7x 1098-0121x 1550-235Xx 2469-9950x 2469-9969
856	4	u http://arxiv.org/pdf/1408.2075v1
856	4	u https://mau.diva-portal.org/smash/get/diva2:1399033/FULLTEXT01.pdfx primaryx Raw objecty fulltext:postprint
856	4	u http://publications.lib.chalmers.se/records/fulltext/203372/local_203372.pdfx primaryx freey FULLTEXT
856	4 8	u https://urn.kb.se/resolve?urn=urn:nbn:se:mau:diva-2280
856	4 8	u https://doi.org/10.1103/PhysRevB.90.075148
856	4 8	u https://research.chalmers.se/publication/203372

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