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 *

204 related articles for article (PubMed ID: 19655837)

  • 1. How to tell when a model Kohn-Sham potential is not a functional derivative.
    Gaiduk AP; Staroverov VN
    J Chem Phys; 2009 Jul; 131(4):044107. PubMed ID: 19655837
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Reconstruction of Density Functionals from Kohn-Sham Potentials by Integration along Density Scaling Paths.
    Gaiduk AP; Chulkov SK; Staroverov VN
    J Chem Theory Comput; 2009 Apr; 5(4):699-707. PubMed ID: 26609574
    [TBL] [Abstract][Full Text] [Related]  

  • 3. A generalized gradient approximation for exchange derived from the model potential of van Leeuwen and Baerends.
    Gaiduk AP; Staroverov VN
    J Chem Phys; 2012 Feb; 136(6):064116. PubMed ID: 22360178
    [TBL] [Abstract][Full Text] [Related]  

  • 4. The spin-unrestricted molecular Kohn-Sham solution and the analogue of Koopmans's theorem for open-shell molecules.
    Gritsenko OV; Baerends EJ
    J Chem Phys; 2004 May; 120(18):8364-72. PubMed ID: 15267759
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Time-dependent exchange-correlation current density functionals with memory.
    Kurzweil Y; Baer R
    J Chem Phys; 2004 Nov; 121(18):8731-41. PubMed ID: 15527336
    [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. Communication: Explicit construction of functional derivatives in potential-driven density-functional theory.
    Gaiduk AP; Staroverov VN
    J Chem Phys; 2010 Sep; 133(10):101104. PubMed ID: 20849155
    [TBL] [Abstract][Full Text] [Related]  

  • 8. 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]  

  • 9. Efficient construction of exchange and correlation potentials by inverting the Kohn-Sham equations.
    Kananenka AA; Kohut SV; Gaiduk AP; Ryabinkin IG; Staroverov VN
    J Chem Phys; 2013 Aug; 139(7):074112. PubMed ID: 23968077
    [TBL] [Abstract][Full Text] [Related]  

  • 10. 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]  

  • 11. Developing the random phase approximation into a practical post-Kohn-Sham correlation model.
    Furche F
    J Chem Phys; 2008 Sep; 129(11):114105. PubMed ID: 19044948
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Kohn-Sham perturbation theory: simple solution to variational instability of second order correlation energy functional.
    Jiang H; Engel E
    J Chem Phys; 2006 Nov; 125(18):184108. PubMed ID: 17115739
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Functional derivatives of meta-generalized gradient approximation (meta-GGA) type exchange-correlation density functionals.
    Zahariev F; Leang SS; Gordon MS
    J Chem Phys; 2013 Jun; 138(24):244108. PubMed ID: 23822228
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Time dependent density functional study of the photoionization dynamics of SF6.
    Stener M; Toffoli D; Fronzoni G; Decleva P
    J Chem Phys; 2006 Mar; 124(11):114306. PubMed ID: 16555887
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Analytical evaluation of Fukui functions and real-space linear response function.
    Yang W; Cohen AJ; De Proft F; Geerlings P
    J Chem Phys; 2012 Apr; 136(14):144110. PubMed ID: 22502504
    [TBL] [Abstract][Full Text] [Related]  

  • 16. A ground-state-directed optimization scheme for the Kohn-Sham energy.
    Høst S; Jansík B; Olsen J; Jørgensen P; Reine S; Helgaker T
    Phys Chem Chem Phys; 2008 Sep; 10(35):5344-8. PubMed ID: 18766229
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Energy surface, chemical potentials, Kohn-Sham energies in spin-polarized density functional theory.
    Gál T; Geerlings P
    J Chem Phys; 2010 Oct; 133(14):144105. PubMed ID: 20949985
    [TBL] [Abstract][Full Text] [Related]  

  • 18. From local hybrid functionals to "localized local hybrid" potentials: formalism and thermochemical tests.
    Arbuznikov AV; Kaupp M; Bahmann H
    J Chem Phys; 2006 May; 124(20):204102. PubMed ID: 16774314
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Legendre-transform functionals for spin-density-functional theory.
    Ayers PW; Yang W
    J Chem Phys; 2006 Jun; 124(22):224108. PubMed ID: 16784264
    [TBL] [Abstract][Full Text] [Related]  

  • 20. 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]  

    [Next]    [New Search]
    of 11.