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Journal Abstract Search

271 related items for PubMed ID: 17190541

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  • 2. Static and dynamic second hyperpolarizability calculated by time-dependent density functional cubic response theory with local contribution and natural bond orbital analysis.
    Ye A, Patchkovskii S, Autschbach J.
    J Chem Phys; 2007 Aug 21; 127(7):074104. PubMed ID: 17718603
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  • 4. Cubic response functions in time-dependent density functional theory.
    Jansik B, Sałek P, Jonsson D, Vahtras O, Agren H.
    J Chem Phys; 2005 Feb 01; 122(5):54107. PubMed ID: 15740310
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  • 9. Time-dependent density functional theory for nonlinear properties of open-shell systems.
    Rinkevicius Z, Jha PC, Oprea CI, Vahtras O, Agren H.
    J Chem Phys; 2007 Sep 21; 127(11):114101. PubMed ID: 17887822
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  • 11. Two-component relativistic hybrid density functional computations of nuclear spin-spin coupling tensors using Slater-type basis sets and density-fitting techniques.
    Autschbach J.
    J Chem Phys; 2008 Sep 07; 129(9):094105. PubMed ID: 19044863
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  • 12. Role of noncollinear magnetization for the first-order electric-dipole hyperpolarizability at the four-component Kohn-Sham density functional theory level.
    Bast R, Saue T, Henriksson J, Norman P.
    J Chem Phys; 2009 Jan 14; 130(2):024109. PubMed ID: 19154021
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  • 15. Molecular (hyper)polarizabilities computed by pseudospectral methods.
    Cao Y, Friesner RA.
    J Chem Phys; 2005 Mar 08; 122(10):104102. PubMed ID: 15836304
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  • 18. Hartree-Fock and Kohn-Sham time-dependent response theory in a second-quantization atomic-orbital formalism suitable for linear scaling.
    Kjaergaard T, Jørgensen P, Olsen J, Coriani S, Helgaker T.
    J Chem Phys; 2008 Aug 07; 129(5):054106. PubMed ID: 18698887
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  • 19. Applicability of hybrid density functional theory methods to calculation of molecular hyperpolarizability.
    Suponitsky KY, Tafur S, Masunov AE.
    J Chem Phys; 2008 Jul 28; 129(4):044109. PubMed ID: 18681636
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