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 *

123 related articles for article (PubMed ID: 24182014)

  • 1. Apparent violation of the sum rule for exchange-correlation charges by generalized gradient approximations.
    Kohut SV; Staroverov VN
    J Chem Phys; 2013 Oct; 139(16):164117. PubMed ID: 24182014
    [TBL] [Abstract][Full Text] [Related]  

  • 2. On the errors of local density (LDA) and generalized gradient (GGA) approximations to the Kohn-Sham potential and orbital energies.
    Gritsenko OV; Mentel ŁM; Baerends EJ
    J Chem Phys; 2016 May; 144(20):204114. PubMed ID: 27250286
    [TBL] [Abstract][Full Text] [Related]  

  • 3. 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]  

  • 4. Derivative discontinuity and exchange-correlation potential of meta-GGAs in density-functional theory.
    Eich FG; Hellgren M
    J Chem Phys; 2014 Dec; 141(22):224107. PubMed ID: 25494732
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Improved electronic excitation energies from shape-corrected semilocal Kohn-Sham potentials.
    Gaiduk AP; Firaha DS; Staroverov VN
    Phys Rev Lett; 2012 Jun; 108(25):253005. PubMed ID: 23004596
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Qualitatively Correct Charge-Transfer Excitation Energies in HeH(+) by Time-Dependent Density-Functional Theory Due to Exact Exchange Kohn-Sham Eigenvalue Differences.
    Gimon T; Ipatov A; Heßelmann A; Görling A
    J Chem Theory Comput; 2009 Apr; 5(4):781-5. PubMed ID: 26609583
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Semiempirical hybrid density functional with perturbative second-order correlation.
    Grimme S
    J Chem Phys; 2006 Jan; 124(3):034108. PubMed ID: 16438568
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Exploration of near the origin and the asymptotic behaviors of the Kohn-Sham kinetic energy density for two-dimensional quantum dot systems with parabolic confinement.
    Jana S; Samal P
    J Chem Phys; 2018 Jan; 148(2):024111. PubMed ID: 29331118
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. Exact exchange-correlation potentials of singlet two-electron systems.
    Ryabinkin IG; Ospadov E; Staroverov VN
    J Chem Phys; 2017 Oct; 147(16):164117. PubMed ID: 29096458
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Generalized Gradient Approximation Exchange Energy Functional with Near-Best Semilocal Performance.
    Carmona-Espíndola J; Gázquez JL; Vela A; Trickey SB
    J Chem Theory Comput; 2019 Jan; 15(1):303-310. PubMed ID: 30481469
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. Increasing the applicability of density functional theory. IV. Consequences of ionization-potential improved exchange-correlation potentials.
    Verma P; Bartlett RJ
    J Chem Phys; 2014 May; 140(18):18A534. PubMed ID: 24832342
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Molecular excitations from meta-generalized gradient approximations in the Kohn-Sham scheme.
    Hofmann F; Kümmel S
    J Chem Phys; 2020 Sep; 153(11):114106. PubMed ID: 32962375
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Asymptotic correction of the exchange-correlation kernel of time-dependent density functional theory for long-range charge-transfer excitations.
    Gritsenko O; Baerends EJ
    J Chem Phys; 2004 Jul; 121(2):655-60. PubMed ID: 15260591
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Optimized unrestricted Kohn-Sham potentials from ab initio spin densities.
    Boguslawski K; Jacob CR; Reiher M
    J Chem Phys; 2013 Jan; 138(4):044111. PubMed ID: 23387572
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. Oscillations in meta-generalized-gradient approximation potential energy surfaces for dispersion-bound complexes.
    Johnson ER; Becke AD; Sherrill CD; DiLabio GA
    J Chem Phys; 2009 Jul; 131(3):034111. PubMed ID: 19624185
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 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]  

  • 20. Semiclassical neutral atom as a reference system in density functional theory.
    Constantin LA; Fabiano E; Laricchia S; Della Sala F
    Phys Rev Lett; 2011 May; 106(18):186406. PubMed ID: 21635112
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 7.