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

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]

Abstract

Abstract is missing.