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Separable dual-space Gaussian pseudopotentials

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Generalized gradient approximation for the exchange-correlation hole of a many-electron system

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Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach

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Gaussian basis sets for accurate calculations on molecular systems in gas and condensed phases

Joost VandeVondele, Jürg Hutter · The Journal of Chemical Physics · 2007 · 4.6K citations · Full text

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