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 *

195 related articles for article (PubMed ID: 15268299)

  • 1. A global investigation of excited state surfaces within time-dependent density-functional response theory.
    Wanko M; Garavelli M; Bernardi F; Niehaus TA; Frauenheim T; Elstner M
    J Chem Phys; 2004 Jan; 120(4):1674-92. PubMed ID: 15268299
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Excited state geometry optimizations by analytical energy gradient of long-range corrected time-dependent density functional theory.
    Chiba M; Tsuneda T; Hirao K
    J Chem Phys; 2006 Apr; 124(14):144106. PubMed ID: 16626179
    [TBL] [Abstract][Full Text] [Related]  

  • 3. 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]  

  • 4. 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]  

  • 5. Excitation energies with time-dependent density matrix functional theory: Singlet two-electron systems.
    Giesbertz KJ; Pernal K; Gritsenko OV; Baerends EJ
    J Chem Phys; 2009 Mar; 130(11):114104. PubMed ID: 19317528
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Cubic response functions in time-dependent density functional theory.
    Jansik B; Sałek P; Jonsson D; Vahtras O; Agren H
    J Chem Phys; 2005 Feb; 122(5):54107. PubMed ID: 15740310
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Long-range excitations in time-dependent density functional theory.
    Maitra NT; Tempel DG
    J Chem Phys; 2006 Nov; 125(18):184111. PubMed ID: 17115742
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Excitonic effects in a time-dependent density functional theory.
    Igumenshchev KI; Tretiak S; Chernyak VY
    J Chem Phys; 2007 Sep; 127(11):114902. PubMed ID: 17887875
    [TBL] [Abstract][Full Text] [Related]  

  • 9. 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]  

  • 10. 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]  

  • 11. Open-shell localized Hartree-Fock method based on the generalized adiabatic connection Kohn-Sham formalism for a self-consistent treatment of excited states.
    Vitale V; Della Sala F; Görling A
    J Chem Phys; 2005 Jun; 122(24):244102. PubMed ID: 16035741
    [TBL] [Abstract][Full Text] [Related]  

  • 12. 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]  

  • 13. 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]  

  • 14. 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]  

  • 15. DFT/TDDFT exploration of the potential energy surfaces of the ground state and excited states of Fe2(S2C3H6)(CO)6: a simple functional model of the [FeFe] hydrogenase active site.
    Bertini L; Greco C; De Gioia L; Fantucci P
    J Phys Chem A; 2009 May; 113(19):5657-70. PubMed ID: 19378958
    [TBL] [Abstract][Full Text] [Related]  

  • 16. Comparative studies of the spectroscopy of CuCl2: DFT versus standard ab initio approaches.
    Ramírez-Solís A; Poteau R; Vela A; Daudey JP
    J Chem Phys; 2005 Apr; 122(16):164306. PubMed ID: 15945683
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Excitations in photoactive molecules from quantum Monte Carlo.
    Schautz F; Buda F; Filippi C
    J Chem Phys; 2004 Sep; 121(12):5836-44. PubMed ID: 15367010
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Time-dependent four-component relativistic density-functional theory for excitation energies. II. The exchange-correlation kernel.
    Gao J; Zou W; Liu W; Xiao Y; Peng D; Song B; Liu C
    J Chem Phys; 2005 Aug; 123(5):054102. PubMed ID: 16108626
    [TBL] [Abstract][Full Text] [Related]  

  • 19. 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]  

  • 20. Coverage of dynamic correlation effects by density functional theory functionals: density-based analysis for neon.
    Jankowski K; Nowakowski K; Grabowski I; Wasilewski J
    J Chem Phys; 2009 Apr; 130(16):164102. PubMed ID: 19405556
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 10.