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Journal Abstract Search

125 related items for PubMed ID: 14735567

  • 21. Canonical transformation theory from extended normal ordering.
    Yanai T, Chan GK.
    J Chem Phys; 2007 Sep 14; 127(10):104107. PubMed ID: 17867737
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  • 23. An efficient fragment-based approach for predicting the ground-state energies and structures of large molecules.
    Li S, Li W, Fang T.
    J Am Chem Soc; 2005 May 18; 127(19):7215-26. PubMed ID: 15884963
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  • 24. Ab initio study of a Bi3+ impurity in Cs2NaYCl6 and Y2O3: comparison of perturbative and variational electron correlation methods.
    Réal F, Vallet V, Flament JP, Schamps J.
    J Chem Phys; 2006 Nov 07; 125(17):174709. PubMed ID: 17100463
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  • 25. Double-hybrid density functionals with long-range dispersion corrections: higher accuracy and extended applicability.
    Schwabe T, Grimme S.
    Phys Chem Chem Phys; 2007 Jul 14; 9(26):3397-406. PubMed ID: 17664963
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  • 27. Linear-scaling atomic orbital-based second-order Møller-Plesset perturbation theory by rigorous integral screening criteria.
    Doser B, Lambrecht DS, Kussmann J, Ochsenfeld C.
    J Chem Phys; 2009 Feb 14; 130(6):064107. PubMed ID: 19222267
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  • 30. A valence bond study of the low-lying states of the NF molecule.
    Su P, Wu W, Shaik S, Hiberty PC.
    Chemphyschem; 2008 Jul 14; 9(10):1442-52. PubMed ID: 18509836
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  • 33. Renormalized coupled-cluster methods exploiting left eigenstates of the similarity-transformed Hamiltonian.
    Piecuch P, Włoch M.
    J Chem Phys; 2005 Dec 08; 123(22):224105. PubMed ID: 16375468
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  • 34. On the convergence of Z-averaged perturbation theory.
    Wheeler SE, Allen WD, Schaefer HF.
    J Chem Phys; 2008 Feb 21; 128(7):074107. PubMed ID: 18298140
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  • 35. Coupled-cluster method tailored by configuration interaction.
    Kinoshita T, Hino O, Bartlett RJ.
    J Chem Phys; 2005 Aug 15; 123(7):074106. PubMed ID: 16229558
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  • 36. Modeling the doubly excited state with time-dependent Hartree-Fock and density functional theories.
    Isborn CM, Li X.
    J Chem Phys; 2008 Nov 28; 129(20):204107. PubMed ID: 19045852
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  • 37. W4 theory for computational thermochemistry: In pursuit of confident sub-kJ/mol predictions.
    Karton A, Rabinovich E, Martin JM, Ruscic B.
    J Chem Phys; 2006 Oct 14; 125(14):144108. PubMed ID: 17042580
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  • 40. Improving upon the accuracy for doubly excited states within the coupled cluster singles and doubles theory.
    Kuś T, Bartlett RJ.
    J Chem Phys; 2009 Sep 28; 131(12):124310. PubMed ID: 19791884
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