PyADF - A scripting framework for multiscale quantum chemistry

Christoph R. Jacob, S. Maya Beyhan, Rosa E. Bulo, André Severo Pereira Gomes, Andreas W. Götz, Karin Kiewisch, Jetze Sikkema, Lucas Visscher. PyADF - A scripting framework for multiscale quantum chemistry. Journal of Computational Chemistry, 32(10):2328-2338, 2011. [doi]

Abstract

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