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An efficient local coupled cluster method for accurate thermochemistry of large systems

, and . J. Chem. Phys., 135 (14): 144116 (October 2011)
DOI: 10.1063/1.3641642

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Local Treatment of Electron Correlation in Molecular Clusters:  Structures and Stabilities of (H₂O)ₙ , n = 2−4, , and . J. Phys. Chem. A, 102 (29): 5997–6003 (July 1998)Low-order scaling local electron correlation methods. I. Linear scaling local MP2, , and . J. Chem. Phys., 111 (13): 5691–5705 (1999)Analytical energy gradients for local second-order Moøller-Plesset perturbation theory using density fitting approximations, , , and . J. Chem. Phys., 121 (2): 737–750 (2004)Low-order scaling local correlation methods II: Splitting the Coulomb operator in linear scaling local second-order Møller–Plesset perturbation theory, , , and . J. Chem. Phys., 113 (21): 9443–9455 (2000)Local perturbative triples correction (T) with linear cost scaling, and . Chem. Phys. Lett., 318 (4-5): 370–378 (2000)Improved intermolecular water potential from global geometry optimization of small water clusters using local MP2, , and . Chem. Phys., 239 (1-3): 561–572 (1998)An efficient local coupled cluster method for accurate thermochemistry of large systems, and . J. Chem. Phys., 135 (14): 144116 (October 2011)Correlation regions within a localized molecular orbital approach, , and . J. Chem. Phys., (2008)A comparison of metallophilic attraction in (X-M-PH₃)₂(M = Cu, Ag, Au; X = H, Cl), , , , , and . Phys. Chem. Chem. Phys., 4 (6): 1006–1013 (2002)Molpro: a general-purpose quantum chemistry program package, , , , and . Wiley Interdiscip. Rev. Comput. Mol. Sci., 2 (2): 242–253 (2011)