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- Hyldgaard, Per,1964Malmö högskola,Institutionen för materialvetenskap och tillämpad matematik (MTM),Chalmers tekniska högskola,Chalmers University of Technology (author)
Interpretation of van der Waals density functionals
- Article/chapterEnglish2014
Publisher, publication year, extent ...
- American Physical Society,2014
- electronicrdacarrier
Numbers
- LIBRIS-ID:oai:DiVA.org:mau-2280
- https://urn.kb.se/resolve?urn=urn:nbn:se:mau:diva-2280URI
- https://doi.org/10.1103/PhysRevB.90.075148DOI
- https://research.chalmers.se/publication/203372URI
Supplementary language notes
- Language:English
- Summary in:English
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Notes
- 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.
Subject headings and genre
- NATURVETENSKAP Fysik hsv//swe
- NATURAL SCIENCES Physical Sciences hsv//eng
- NATURVETENSKAP Kemi Teoretisk kemi hsv//swe
- NATURAL SCIENCES Chemical Sciences Theoretical Chemistry hsv//eng
- TEKNIK OCH TEKNOLOGIER Nanoteknik hsv//swe
- ENGINEERING AND TECHNOLOGY Nano-technology hsv//eng
- NATURVETENSKAP Fysik Den kondenserade materiens fysik hsv//swe
- NATURAL SCIENCES Physical Sciences Condensed Matter Physics hsv//eng
- van der Waals forces
- Quantum Chemistry
- Density Functional Theory
- vdW-DF
- Sparse matter interactions
Added entries (persons, corporate bodies, meetings, titles ...)
- Berland, Kristian,1983Chalmers tekniska högskola,Chalmers University of Technology(Swepub:cth)berland (author)
- Schröder, Elsebeth,1966Chalmers tekniska högskola,Chalmers University of Technology(Swepub:cth)schroder (author)
- Malmö högskolaInstitutionen för materialvetenskap och tillämpad matematik (MTM) (creator_code:org_t)
Related titles
- In:Physical Review B. Condensed Matter and Materials Physics: American Physical Society90:71098-01211550-235X2469-99502469-9969
Internet link
- http://arxiv.org/pdf/1408.2075v1
- https://mau.diva-portal.org/smash/get/diva2:1399033/FULLTEXT01.pdffulltext:postprint
- http://publications.lib.chalmers.se/records/fulltext/203372/local_203372.pdfFULLTEXT
- https://urn.kb.se/resolve?urn=urn:nbn:se:mau:diva-2280
- https://doi.org/10.1103/PhysRevB.90.075148
- https://research.chalmers.se/publication/203372
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