These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

288 related articles for article (PubMed ID: 22559469)

  • 1. Density functional resonance theory: complex density functions, convergence, orbital energies, and functionals.
    Whitenack DL; Wasserman A
    J Chem Phys; 2012 Apr; 136(16):164106. PubMed ID: 22559469
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Density functional resonance theory of unbound electronic systems.
    Whitenack DL; Wasserman A
    Phys Rev Lett; 2011 Oct; 107(16):163002. PubMed ID: 22107377
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Orbital energies and negative electron affinities from density functional theory: Insight from the integer discontinuity.
    Teale AM; De Proft F; Tozer DJ
    J Chem Phys; 2008 Jul; 129(4):044110. PubMed ID: 18681637
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Density functional theory of complex transition densities.
    Ernzerhof M
    J Chem Phys; 2006 Sep; 125(12):124104. PubMed ID: 17014163
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Local effective potential theory: nonuniqueness of potential and wave function.
    Sahni V; Slamet M; Pan XY
    J Chem Phys; 2007 May; 126(20):204106. PubMed ID: 17552753
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Orbital- and state-dependent functionals in density-functional theory.
    Görling A
    J Chem Phys; 2005 Aug; 123(6):62203. PubMed ID: 16122289
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Double-hybrid density functional theory for excited electronic states of molecules.
    Grimme S; Neese F
    J Chem Phys; 2007 Oct; 127(15):154116. PubMed ID: 17949141
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Fluctuation-dissipation theorem density-functional theory.
    Furche F; Van Voorhis T
    J Chem Phys; 2005 Apr; 122(16):164106. PubMed ID: 15945671
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Away from generalized gradient approximation: orbital-dependent exchange-correlation functionals.
    Baerends EJ; Gritsenko OV
    J Chem Phys; 2005 Aug; 123(6):62202. PubMed ID: 16122288
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Second-order Kohn-Sham perturbation theory: correlation potential for atoms in a cavity.
    Jiang H; Engel E
    J Chem Phys; 2005 Dec; 123(22):224102. PubMed ID: 16375465
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Semiempirical double-hybrid density functional with improved description of long-range correlation.
    Benighaus T; DiStasio RA; Lochan RC; Chai JD; Head-Gordon M
    J Phys Chem A; 2008 Mar; 112(12):2702-12. PubMed ID: 18318517
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Properties of Augmented Kohn-Sham Potential for Energy as Simple Sum of Orbital Energies.
    Zahariev F; Levy M
    J Phys Chem A; 2017 Jan; 121(1):342-347. PubMed ID: 28004931
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Relation between exchange-only optimized potential and Kohn-Sham methods with finite basis sets, and effect of linearly dependent products of orbital basis functions.
    Görling A; Hesselmann A; Jones M; Levy M
    J Chem Phys; 2008 Mar; 128(10):104104. PubMed ID: 18345874
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Accelerating the convergence of the total energy evaluation in density functional theory calculations.
    Zhou B; Wang YA
    J Chem Phys; 2008 Feb; 128(8):084101. PubMed ID: 18315027
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Intermolecular potentials of the silane dimer calculated with Hartree-Fock theory, Møller-Plesset perturbation theory, and density functional theory.
    Pai CC; Li AH; Chao SD
    J Phys Chem A; 2007 Nov; 111(46):11922-9. PubMed ID: 17963367
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Quantal density functional theory of the hydrogen molecule.
    Pan XY; Sahni V
    J Chem Phys; 2004 Mar; 120(12):5642-9. PubMed ID: 15267441
    [TBL] [Abstract][Full Text] [Related]  

  • 17. A self-interaction-free local hybrid functional: accurate binding energies vis-à-vis accurate ionization potentials from Kohn-Sham eigenvalues.
    Schmidt T; Kraisler E; Makmal A; Kronik L; Kümmel S
    J Chem Phys; 2014 May; 140(18):18A510. PubMed ID: 24832318
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Intermolecular potentials based on symmetry-adapted perturbation theory with dispersion energies from time-dependent density-functional calculations.
    Misquitta AJ; Podeszwa R; Jeziorski B; Szalewicz K
    J Chem Phys; 2005 Dec; 123(21):214103. PubMed ID: 16356035
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Ab initio correlation functionals from second-order perturbation theory.
    Schweigert IV; Lotrich VF; Bartlett RJ
    J Chem Phys; 2006 Sep; 125(10):104108. PubMed ID: 16999516
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Comparison of DFT methods for molecular orbital eigenvalue calculations.
    Zhang G; Musgrave CB
    J Phys Chem A; 2007 Mar; 111(8):1554-61. PubMed ID: 17279730
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 15.