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239 related items for PubMed ID: 21715775

  • 1. Hubbard-U band-structure methods.
    Albers RC, Christensen NE, Svane A.
    J Phys Condens Matter; 2009 Aug 26; 21(34):343201. PubMed ID: 21715775
    [Abstract] [Full Text] [Related]

  • 2. Proceedings of the Second Workshop on Theory meets Industry (Erwin-Schrödinger-Institute (ESI), Vienna, Austria, 12-14 June 2007).
    Hafner J.
    J Phys Condens Matter; 2008 Feb 13; 20(6):060301. PubMed ID: 21693862
    [Abstract] [Full Text] [Related]

  • 3. Accurate band gaps and dielectric properties from one-electron theories (abstract only).
    Kresse G, Shishkin M, Marsman M, Paier J.
    J Phys Condens Matter; 2008 Feb 13; 20(6):064203. PubMed ID: 21693865
    [Abstract] [Full Text] [Related]

  • 4. A self-consistent Hubbard U density-functional theory approach to the addition-elimination reactions of hydrocarbons on bare FeO+.
    Kulik HJ, Marzari N.
    J Chem Phys; 2008 Oct 07; 129(13):134314. PubMed ID: 19045097
    [Abstract] [Full Text] [Related]

  • 5. Structural and electronic properties of ZrX2)and HfX2 (X=S and Se) from first principles calculations.
    Jiang H.
    J Chem Phys; 2011 May 28; 134(20):204705. PubMed ID: 21639465
    [Abstract] [Full Text] [Related]

  • 6. Dynamical mean field theory-based electronic structure calculations for correlated materials.
    Biermann S.
    Top Curr Chem; 2014 May 28; 347():303-45. PubMed ID: 24842620
    [Abstract] [Full Text] [Related]

  • 7. GW quasiparticle bandgaps of anatase TiO2 starting from DFT + U.
    Patrick CE, Giustino F.
    J Phys Condens Matter; 2012 May 23; 24(20):202201. PubMed ID: 22510587
    [Abstract] [Full Text] [Related]

  • 8. Non-standard Hubbard models in optical lattices: a review.
    Dutta O, Gajda M, Hauke P, Lewenstein M, Lühmann DS, Malomed BA, Sowiński T, Zakrzewski J.
    Rep Prog Phys; 2015 Jun 23; 78(6):066001. PubMed ID: 26023844
    [Abstract] [Full Text] [Related]

  • 9. Dynamical mean-field theory of nickelate superlattices.
    Han MJ, Wang X, Marianetti CA, Millis AJ.
    Phys Rev Lett; 2011 Nov 11; 107(20):206804. PubMed ID: 22181757
    [Abstract] [Full Text] [Related]

  • 10. What about U on surfaces? Extended Hubbard models for adatom systems from first principles.
    Hansmann P, Vaugier L, Jiang H, Biermann S.
    J Phys Condens Matter; 2013 Mar 06; 25(9):094005. PubMed ID: 23400014
    [Abstract] [Full Text] [Related]

  • 11. Communication: improving the density functional theory+U description of CeO2 by including the contribution of the O 2p electrons.
    Plata JJ, Márquez AM, Sanz JF.
    J Chem Phys; 2012 Jan 28; 136(4):041101. PubMed ID: 22299851
    [Abstract] [Full Text] [Related]

  • 12. Ab-initio simulations of materials using VASP: Density-functional theory and beyond.
    Hafner J.
    J Comput Chem; 2008 Oct 28; 29(13):2044-78. PubMed ID: 18623101
    [Abstract] [Full Text] [Related]

  • 13. DFT+U study of defects in bulk rutile TiO(2).
    Stausholm-Møller J, Kristoffersen HH, Hinnemann B, Madsen GK, Hammer B.
    J Chem Phys; 2010 Oct 14; 133(14):144708. PubMed ID: 20950031
    [Abstract] [Full Text] [Related]

  • 14. Experimental constraints on the theory of high-tc superconductivity.
    Anderson PW.
    Science; 1992 Jun 12; 256(5063):1526-31. PubMed ID: 17836318
    [Abstract] [Full Text] [Related]

  • 15. Valence-band electronic structure of iron phthalocyanine: an experimental and theoretical photoelectron spectroscopy study.
    Brena B, Puglia C, de Simone M, Coreno M, Tarafder K, Feyer V, Banerjee R, Göthelid E, Sanyal B, Oppeneer PM, Eriksson O.
    J Chem Phys; 2011 Feb 21; 134(7):074312. PubMed ID: 21341849
    [Abstract] [Full Text] [Related]

  • 16. Cationic and anionic vacancies on the NiO(100) surface: DFT+U and hybrid functional density functional theory calculations.
    Ferrari AM, Pisani C, Cinquini F, Giordano L, Pacchioni G.
    J Chem Phys; 2007 Nov 07; 127(17):174711. PubMed ID: 17994846
    [Abstract] [Full Text] [Related]

  • 17. Metal-insulator transitions in the half-filled ionic Hubbard model.
    Hoang AT.
    J Phys Condens Matter; 2010 Mar 10; 22(9):095602. PubMed ID: 21389421
    [Abstract] [Full Text] [Related]

  • 18. Field-dependent dynamics in the metallic regime of the half-filled Hubbard model.
    Parihari D, Vidhyadhiraja NS, Taraphder A.
    J Phys Condens Matter; 2011 Feb 09; 23(5):055602. PubMed ID: 21406912
    [Abstract] [Full Text] [Related]

  • 19. First-principles approach to the electronic structure of strongly correlated systems: combining the GW approximation and dynamical mean-field theory.
    Biermann S, Aryasetiawan F, Georges A.
    Phys Rev Lett; 2003 Feb 28; 90(8):086402. PubMed ID: 12633445
    [Abstract] [Full Text] [Related]

  • 20. Maximally localized Wannier functions in LaMnO3 within PBE + U, hybrid functionals and partially self-consistent GW: an efficient route to construct ab initio tight-binding parameters for eg perovskites.
    Franchini C, Kováčik R, Marsman M, Murthy SS, He J, Ederer C, Kresse G.
    J Phys Condens Matter; 2012 Jun 13; 24(23):235602. PubMed ID: 22581069
    [Abstract] [Full Text] [Related]

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