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PUBMED FOR HANDHELDS

Journal Abstract Search


488 related items for PubMed ID: 19063545

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  • 22. Density functional theory investigation of the polarizability and second hyperpolarizability of polydiacetylene and polybutatriene chains: treatment of exact exchange and role of correlation.
    Champagne B, Bulat FA, Yang W, Bonness S, Kirtman B.
    J Chem Phys; 2006 Nov 21; 125(19):194114. PubMed ID: 17129096
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  • 28. Calculation of origin-independent optical rotation tensor components in approximate time-dependent density functional theory.
    Krykunov M, Autschbach J.
    J Chem Phys; 2006 Jul 21; 125(3):34102. PubMed ID: 16863339
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  • 29. First-order nonadiabatic couplings from time-dependent hybrid density functional response theory: Consistent formalism, implementation, and performance.
    Send R, Furche F.
    J Chem Phys; 2010 Jan 28; 132(4):044107. PubMed ID: 20113019
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  • 33. Auxiliary density perturbation theory.
    Flores-Moreno R, Köster AM.
    J Chem Phys; 2008 Apr 07; 128(13):134105. PubMed ID: 18397051
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  • 38. Parallel, linear-scaling building-block and embedding method based on localized orbitals and orbital-specific basis sets.
    Seijo L, Barandiarán Z.
    J Chem Phys; 2004 Oct 08; 121(14):6698-709. PubMed ID: 15473725
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  • 39. An atomic orbital-based reformulation of energy gradients in second-order Møller-Plesset perturbation theory.
    Schweizer S, Doser B, Ochsenfeld C.
    J Chem Phys; 2008 Apr 21; 128(15):154101. PubMed ID: 18433184
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