ORBKIT: A modular python toolbox for cross-platform postprocessing of quantum chemical wavefunction data

Gunter Hermann, Vincent Pohl, Jean Christophe Tremblay, Beate Paulus, Hans-Christian Hege, Axel Schild. ORBKIT: A modular python toolbox for cross-platform postprocessing of quantum chemical wavefunction data. Journal of Computational Chemistry, 37(16):1511-1520, 2016. [doi]

Abstract

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