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467 related items for PubMed ID: 15268406

  • 1. Molecule intrinsic minimal basis sets. I. Exact resolution of ab initio optimized molecular orbitals in terms of deformed atomic minimal-basis orbitals.
    Lu WC, Wang CZ, Schmidt MW, Bytautas L, Ho KM, Ruedenberg K.
    J Chem Phys; 2004 Feb 08; 120(6):2629-37. PubMed ID: 15268406
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  • 2. Molecule intrinsic minimal basis sets. II. Bonding analyses for Si4H6 and Si2 to Si10.
    Lu WC, Wang CZ, Schmidt MW, Bytautas L, Ho KM, Ruedenberg K.
    J Chem Phys; 2004 Feb 08; 120(6):2638-51. PubMed ID: 15268407
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  • 3. Charge transfer interaction using quasiatomic minimal-basis orbitals in the effective fragment potential method.
    Xu P, Gordon MS.
    J Chem Phys; 2013 Nov 21; 139(19):194104. PubMed ID: 24320313
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  • 4. Study on the maximum accuracy of the pseudopotential density functional method with localized atomic orbitals versus plane-wave basis sets.
    Gusso M.
    J Chem Phys; 2008 Jan 28; 128(4):044102. PubMed ID: 18247925
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  • 7. The range of electron correlation between localized molecular orbitals. A full configuration interaction analysis for the NCCN molecule.
    Bytautas L, Ruedenberg K.
    J Phys Chem A; 2010 Aug 26; 114(33):8601-12. PubMed ID: 20387786
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  • 13. The ab initio calculation of molecular electric, magnetic and geometric properties.
    Bast R, Ekström U, Gao B, Helgaker T, Ruud K, Thorvaldsen AJ.
    Phys Chem Chem Phys; 2011 Feb 21; 13(7):2627-51. PubMed ID: 21180690
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  • 14. Quasi-Atomic Bond Analyses in the Sixth Period: I. Relativistic Accurate Atomic Minimal Basis Sets for the Elements Cesium to Radon.
    Schoendorff G, West AC, Schmidt MW, Ruedenberg K, Gordon MS.
    J Phys Chem A; 2019 Jun 27; 123(25):5242-5248. PubMed ID: 31199630
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  • 15. An efficient self-consistent field method for large systems of weakly interacting components.
    Khaliullin RZ, Head-Gordon M, Bell AT.
    J Chem Phys; 2006 May 28; 124(20):204105. PubMed ID: 16774317
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  • 19. Relation between exchange-only optimized potential and Kohn-Sham methods with finite basis sets, and effect of linearly dependent products of orbital basis functions.
    Görling A, Hesselmann A, Jones M, Levy M.
    J Chem Phys; 2008 Mar 14; 128(10):104104. PubMed ID: 18345874
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