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274 related items for PubMed ID: 15549956

  • 1. Excitation energies of pi-conjugated oligomers within time-dependent current-density-functional theory.
    van Faassen M, de Boeij PL.
    J Chem Phys; 2004 Dec 01; 121(21):10707-14. PubMed ID: 15549956
    [Abstract] [Full Text] [Related]

  • 2. Excitation energies for a benchmark set of molecules obtained within time-dependent current-density functional theory using the Vignale-Kohn functional.
    van Faassen M, de Boeij PL.
    J Chem Phys; 2004 May 08; 120(18):8353-63. PubMed ID: 15267758
    [Abstract] [Full Text] [Related]

  • 3. Excitation energies from time-dependent density-functional theory beyond the adiabatic approximation.
    Ullrich CA, Burke K.
    J Chem Phys; 2004 Jul 01; 121(1):28-35. PubMed ID: 15260519
    [Abstract] [Full Text] [Related]

  • 4. Long-range excitations in time-dependent density functional theory.
    Maitra NT, Tempel DG.
    J Chem Phys; 2006 Nov 14; 125(18):184111. PubMed ID: 17115742
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  • 5. Influence of molecular geometry, exchange-correlation functional, and solvent effects in the modeling of vertical excitation energies in phthalocyanines using time-dependent density functional theory (TDDFT) and polarized continuum model TDDFT methods: can modern computational chemistry methods explain experimental controversies?
    Nemykin VN, Hadt RG, Belosludov RV, Mizuseki H, Kawazoe Y.
    J Phys Chem A; 2007 Dec 20; 111(50):12901-13. PubMed ID: 18004829
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  • 6. Excited state properties, fluorescence energies, and lifetimes of a poly(fluorene-phenylene), based on TD-DFT investigation.
    Chidthong R, Hannongbua S.
    J Comput Chem; 2010 May 20; 31(7):1450-7. PubMed ID: 19862813
    [Abstract] [Full Text] [Related]

  • 7. Vibronic coupling and double excitations in linear response time-dependent density functional calculations: dipole-allowed states of N2.
    Neugebauer J, Baerends EJ, Nooijen M.
    J Chem Phys; 2004 Oct 01; 121(13):6155-66. PubMed ID: 15446909
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  • 17. On the relation between time-dependent and variational density functional theory approaches for the determination of excitation energies and transition moments.
    Ziegler T, Seth M, Krykunov M, Autschbach J, Wang F.
    J Chem Phys; 2009 Apr 21; 130(15):154102. PubMed ID: 19388731
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  • 18. Dependence of optical properties of oligo-para-phenylenes on torsional modes and chain length.
    Lukes V, Aquino AJ, Lischka H, Kauffmann HF.
    J Phys Chem B; 2007 Jul 19; 111(28):7954-62. PubMed ID: 17592865
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  • 19. A physical model for the longitudinal polarizabilities of polymer chains.
    Berger JA, de Boeij PL, van Leeuwen R.
    J Chem Phys; 2005 Nov 01; 123(17):174910. PubMed ID: 16375572
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  • 20. Response calculations based on an independent particle system with the exact one-particle density matrix: excitation energies.
    Giesbertz KJ, Gritsenko OV, Baerends EJ.
    J Chem Phys; 2012 Mar 07; 136(9):094104. PubMed ID: 22401426
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