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280 related items for PubMed ID: 31503481

  • 1. Explicitly Correlated Dispersion and Exchange Dispersion Energies in Symmetry-Adapted Perturbation Theory.
    Kodrycka M, Holzer C, Klopper W, Patkowski K.
    J Chem Theory Comput; 2019 Nov 12; 15(11):5965-5986. PubMed ID: 31503481
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  • 2. Efficient Density-Fitted Explicitly Correlated Dispersion and Exchange Dispersion Energies.
    Kodrycka M, Patkowski K.
    J Chem Theory Comput; 2021 Mar 09; 17(3):1435-1456. PubMed ID: 33606539
    [Abstract] [Full Text] [Related]

  • 3. Dispersion Energy of Symmetry-Adapted Perturbation Theory from the Explicitly Correlated F12 Approach.
    Przybytek M.
    J Chem Theory Comput; 2018 Oct 09; 14(10):5105-5117. PubMed ID: 30188713
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  • 4. Improving "Silver-Standard" Benchmark Interaction Energies with Bond Functions.
    Dutta NN, Patkowski K.
    J Chem Theory Comput; 2018 Jun 12; 14(6):3053-3070. PubMed ID: 29772176
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  • 5. Accurate description of intermolecular interactions involving ions using symmetry-adapted perturbation theory.
    Lao KU, Schäffer R, Jansen G, Herbert JM.
    J Chem Theory Comput; 2015 Jun 09; 11(6):2473-86. PubMed ID: 26575547
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  • 6. On the accuracy of explicitly correlated coupled-cluster interaction energies--have orbital results been beaten yet?
    Patkowski K.
    J Chem Phys; 2012 Jul 21; 137(3):034103. PubMed ID: 22830679
    [Abstract] [Full Text] [Related]

  • 7. Characterization of the potential energy surfaces of two small but challenging noncovalent dimers: (P2 )2 and (PCCP)2.
    Van Dornshuld E, Tschumper GS.
    J Comput Chem; 2014 Mar 05; 35(6):479-87. PubMed ID: 24403058
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  • 8. Extrapolating MP2 and CCSD explicitly correlated correlation energies to the complete basis set limit with first and second row correlation consistent basis sets.
    Hill JG, Peterson KA, Knizia G, Werner HJ.
    J Chem Phys; 2009 Nov 21; 131(19):194105. PubMed ID: 19929044
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  • 11. Accurate calculations of intermolecular interaction energies using explicitly correlated wave functions.
    Marchetti O, Werner HJ.
    Phys Chem Chem Phys; 2008 Jun 21; 10(23):3400-9. PubMed ID: 18535723
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  • 12. Divergence of Many-Body Perturbation Theory for Noncovalent Interactions of Large Molecules.
    Nguyen BD, Chen GP, Agee MM, Burow AM, Tang MP, Furche F.
    J Chem Theory Comput; 2020 Apr 14; 16(4):2258-2273. PubMed ID: 32105488
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  • 14. A scaled explicitly correlated F12 correction to second-order Møller-Plesset perturbation theory.
    Urban L, Thompson TH, Ochsenfeld C.
    J Chem Phys; 2021 Jan 28; 154(4):044101. PubMed ID: 33514114
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  • 16. Revisiting the Atomic Natural Orbital Approach for Basis Sets: Robust Systematic Basis Sets for Explicitly Correlated and Conventional Correlated ab initio Methods?
    Neese F, Valeev EF.
    J Chem Theory Comput; 2011 Jan 11; 7(1):33-43. PubMed ID: 26606216
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  • 17. Basis set convergence of explicitly correlated double-hybrid density functional theory calculations.
    Karton A, Martin JM.
    J Chem Phys; 2011 Oct 14; 135(14):144119. PubMed ID: 22010710
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  • 19. Conventional and Explicitly Correlated ab Initio Benchmark Study on Water Clusters: Revision of the BEGDB and WATER27 Data Sets.
    Manna D, Kesharwani MK, Sylvetsky N, Martin JML.
    J Chem Theory Comput; 2017 Jul 11; 13(7):3136-3152. PubMed ID: 28530805
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