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Journal Abstract Search

361 related items for PubMed ID: 15267366

  • 1. Multireference spin-adapted variant of density functional theory.
    Khait YG, Hoffmann MR.
    J Chem Phys; 2004 Mar 15; 120(11):5005-16. PubMed ID: 15267366
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  • 3. Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems.
    Gagliardi L, Truhlar DG, Li Manni G, Carlson RK, Hoyer CE, Bao JL.
    Acc Chem Res; 2017 Jan 17; 50(1):66-73. PubMed ID: 28001359
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  • 7. Spin densities in two-component relativistic density functional calculations: noncollinear versus collinear approach.
    Van Wüllen C.
    J Comput Chem; 2002 Jun 17; 23(8):779-85. PubMed ID: 12012354
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  • 9. The limitations of Slater's element-dependent exchange functional from analytic density-functional theory.
    Zope RR, Dunlap BI.
    J Chem Phys; 2006 Jan 28; 124(4):044107. PubMed ID: 16460149
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  • 10. The electronic spectrum of AgCl2: ab initio benchmark versus density-functional theory calculations on the lowest ligand-field states including spin-orbit effects.
    Ramírez-Solís A, Poteau R, Daudey JP.
    J Chem Phys; 2006 Jan 21; 124(3):034307. PubMed ID: 16438583
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  • 11. An explicitly spin-free compact open-shell coupled cluster theory using a multireference combinatoric exponential ansatz: formal development and pilot applications.
    Datta D, Mukherjee D.
    J Chem Phys; 2009 Jul 28; 131(4):044124. PubMed ID: 19655854
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  • 14. Calculation of excitation energies of open-shell molecules with spatially degenerate ground states. I. Transformed reference via an intermediate configuration Kohn-Sham density-functional theory and applications to d1 and d2 systems with octahedral and tetrahedral symmetries.
    Seth M, Ziegler T.
    J Chem Phys; 2005 Oct 08; 123(14):144105. PubMed ID: 16238372
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  • 16. Spin-spin contributions to the zero-field splitting tensor in organic triplets, carbenes and biradicals-a density functional and ab initio study.
    Sinnecker S, Neese F.
    J Phys Chem A; 2006 Nov 09; 110(44):12267-75. PubMed ID: 17078624
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  • 18. Potential energy curves and electronic structure of 3d transition metal hydrides and their cations.
    Goel S, Masunov AE.
    J Chem Phys; 2008 Dec 07; 129(21):214302. PubMed ID: 19063556
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