Accuracy and efficiency of atomic basis set methods versus plane wave calculations with ultrasoft pseudopotentials for DNA base molecules - researchr publication authors

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Peter Pulay, Svein Saebo, Massimo Malagoli, Jon Baker. Accuracy and efficiency of atomic basis set methods versus plane wave calculations with ultrasoft pseudopotentials for DNA base molecules. Journal of Computational Chemistry, 26(6):599-605, 2005. [doi]

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