A tabu-search based strategy for modeling molecular aggregates and binary reactions

A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

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Density-functional exchange-energy approximation with correct asymptotic behavior

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Density-functional approximation for the correlation energy of the inhomogeneous electron gas

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Fully optimized contracted Gaussian basis sets for atoms Li to Kr

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