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Journal Abstract Search

492 related items for PubMed ID: 19475185

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  • 45. Exact-exchange density functional theory for hyperpolarizabilities.
    Bokhan D, Bartlett RJ.
    J Chem Phys; 2007 Nov 07; 127(17):174102. PubMed ID: 17994802
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  • 46. Koopmans-like approximation in the Kohn-Sham method and the impact of the frozen core approximation on the computation of the reactivity parameters of the density functional theory.
    Vargas R, Garza J, Cedillo A.
    J Phys Chem A; 2005 Oct 06; 109(39):8880-92. PubMed ID: 16834292
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  • 48. Analytical time-dependent density functional derivative methods within the RI-J approximation, an approach to excited states of large molecules.
    Rappoport D, Furche F.
    J Chem Phys; 2005 Feb 08; 122(6):064105. PubMed ID: 15740365
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  • 49. First-order derivative couplings between excited states from adiabatic TDDFT response theory.
    Ou Q, Bellchambers GD, Furche F, Subotnik JE.
    J Chem Phys; 2015 Feb 14; 142(6):064114. PubMed ID: 25681894
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  • 50. Theoretical study of the electronic spectra of square-planar platinum (II) complexes based on the two-component relativistic time-dependent density-functional theory.
    Wang F, Ziegler T.
    J Chem Phys; 2005 Nov 15; 123(19):194102. PubMed ID: 16321071
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  • 51. Orbital- and state-dependent functionals in density-functional theory.
    Görling A.
    J Chem Phys; 2005 Aug 08; 123(6):62203. PubMed ID: 16122289
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  • 54. Fluctuation-dissipation theorem density-functional theory.
    Furche F, Van Voorhis T.
    J Chem Phys; 2005 Apr 22; 122(16):164106. PubMed ID: 15945671
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  • 55. Orthogonality constrained density functional theory for electronic excited states.
    Evangelista FA, Shushkov P, Tully JC.
    J Phys Chem A; 2013 Aug 15; 117(32):7378-92. PubMed ID: 23590595
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  • 56. Average excitation energies from time-dependent density functional response theory.
    Hu C, Sugino O.
    J Chem Phys; 2007 Feb 21; 126(7):074112. PubMed ID: 17328598
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  • 57. Analytical Hessian of electronic excited states in time-dependent density functional theory with Tamm-Dancoff approximation.
    Liu J, Liang W.
    J Chem Phys; 2011 Jul 07; 135(1):014113. PubMed ID: 21744894
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  • 58. The calculation of excitation energies based on the relativistic two-component zeroth-order regular approximation and time-dependent density-functional with full use of symmetry.
    Wang F, Ziegler T, van Lenthe E, van Gisbergen S, Baerends EJ.
    J Chem Phys; 2005 May 22; 122(20):204103. PubMed ID: 15945709
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  • 60. 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 14; 5(4):781-5. PubMed ID: 26609583
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