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Journal Abstract Search

339 related items for PubMed ID: 23032667

  • 21. Accurate and efficient calculation of van der Waals interactions within density functional theory by local atomic potential approach.
    Sun YY, Kim YH, Lee K, Zhang SB.
    J Chem Phys; 2008 Oct 21; 129(15):154102. PubMed ID: 19045171
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  • 22. The role of van der Waals interactions in the adsorption of noble gases on metal surfaces.
    Chen DL, Al-Saidi WA, Johnson JK.
    J Phys Condens Matter; 2012 Oct 24; 24(42):424211. PubMed ID: 23032730
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  • 23. Benchmarking Calculated Lattice Parameters and Energies of Molecular Crystals Using van der Waals Density Functionals.
    Carter DJ, Rohl AL.
    J Chem Theory Comput; 2014 Aug 12; 10(8):3423-37. PubMed ID: 26588311
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  • 26. Perspectives on van der Waals Density Functionals: The Case of TiS2.
    Krogel JT, Yuk SF, Kent PRC, Cooper VR.
    J Phys Chem A; 2020 Nov 25; 124(47):9867-9876. PubMed ID: 33190498
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  • 28. Local and semilocal density functional computations for crystals of 1-alkyl-3-methyl-imidazolium salts.
    Del Pópolo MG, Pinilla C, Ballone P.
    J Chem Phys; 2007 Apr 14; 126(14):144705. PubMed ID: 17444730
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  • 29. Self-consistent implementation of a nonlocal van der Waals density functional with a Gaussian basis set.
    Vydrov OA, Wu Q, Van Voorhis T.
    J Chem Phys; 2008 Jul 07; 129(1):014106. PubMed ID: 18624469
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  • 30. vdW-DF-ahcx: a range-separated van der Waals density functional hybrid.
    Shukla V, Jiao Y, Frostenson CM, Hyldgaard P.
    J Phys Condens Matter; 2021 Nov 01; 34(2):. PubMed ID: 34584024
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  • 31. An application of the van der Waals density functional: Hydrogen bonding and stacking interactions between nucleobases.
    Cooper VR, Thonhauser T, Langreth DC.
    J Chem Phys; 2008 May 28; 128(20):204102. PubMed ID: 18513005
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  • 32. Including screening in van der Waals corrected density functional theory calculations: the case of atoms and small molecules physisorbed on graphene.
    Silvestrelli PL, Ambrosetti A.
    J Chem Phys; 2014 Mar 28; 140(12):124107. PubMed ID: 24697424
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  • 33. A density functional for sparse matter.
    Langreth DC, Lundqvist BI, Chakarova-Käck SD, Cooper VR, Dion M, Hyldgaard P, Kelkkanen A, Kleis J, Kong L, Li S, Moses PG, Murray E, Puzder A, Rydberg H, Schröder E, Thonhauser T.
    J Phys Condens Matter; 2009 Feb 25; 21(8):084203. PubMed ID: 21817355
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  • 37. Many-body van der Waals interactions in molecules and condensed matter.
    DiStasio RA, Gobre VV, Tkatchenko A.
    J Phys Condens Matter; 2014 May 28; 26(21):213202. PubMed ID: 24805055
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  • 39. A novel correction scheme for DFT: a combined vdW-DF/CCSD(T) approach.
    Hermann J, Bludský O.
    J Chem Phys; 2013 Jul 21; 139(3):034115. PubMed ID: 23883018
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  • 40. How critical are the van der Waals interactions in polymer crystals?
    Liu CS, Pilania G, Wang C, Ramprasad R.
    J Phys Chem A; 2012 Sep 20; 116(37):9347-52. PubMed ID: 22937808
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