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274 related items for PubMed ID: 23485284

  • 1. Oscillator strengths of electronic excitations with response theory using phase including natural orbital functionals.
    van Meer R, Gritsenko OV, Giesbertz KJ, Baerends EJ.
    J Chem Phys; 2013 Mar 07; 138(9):094114. PubMed ID: 23485284
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  • 2. Excitation energies with linear response density matrix functional theory along the dissociation coordinate of an electron-pair bond in N-electron systems.
    van Meer R, Gritsenko OV, Baerends EJ.
    J Chem Phys; 2014 Jan 14; 140(2):024101. PubMed ID: 24437859
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  • 3. 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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  • 7. 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 21; 130(11):114104. PubMed ID: 19317528
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  • 11. Double excitation effect in non-adiabatic time-dependent density functional theory with an analytic construction of the exchange-correlation kernel in the common energy denominator approximation.
    Gritsenko OV, Baerends EJ.
    Phys Chem Chem Phys; 2009 Jun 14; 11(22):4640-6. PubMed ID: 19475185
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  • 12. Performance of the M11 and M11-L density functionals for calculations of electronic excitation energies by adiabatic time-dependent density functional theory.
    Peverati R, Truhlar DG.
    Phys Chem Chem Phys; 2012 Aug 28; 14(32):11363-70. PubMed ID: 22801459
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  • 13. Charge transfer, double and bond-breaking excitations with time-dependent density matrix functional theory.
    Giesbertz KJ, Baerends EJ, Gritsenko OV.
    Phys Rev Lett; 2008 Jul 18; 101(3):033004. PubMed ID: 18764252
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  • 16. Physical Meaning of Virtual Kohn-Sham Orbitals and Orbital Energies: An Ideal Basis for the Description of Molecular Excitations.
    van Meer R, Gritsenko OV, Baerends EJ.
    J Chem Theory Comput; 2014 Oct 14; 10(10):4432-41. PubMed ID: 26588140
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  • 20. Valence excitation energies of alkenes, carbonyl compounds, and azabenzenes by time-dependent density functional theory: linear response of the ground state compared to collinear and noncollinear spin-flip TDDFT with the Tamm-Dancoff approximation.
    Isegawa M, Truhlar DG.
    J Chem Phys; 2013 Apr 07; 138(13):134111. PubMed ID: 23574212
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