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arXiv:2010.05485 · Computer Physics Communications

Pythonic Black-box Electronic Structure Tool (PyBEST). An open-source Python platform for electronic structure calculations at the interface between chemistry and physics

Katharina Bogusławski, Aleksandra Leszczyk, Artur Nowak, Filip Brzęk, Piotr Szymon Żuchowski, Dariusz Kędziera, Paweł Tecmer

Published Mar 3, 2021• 43 citations
arXivHTMLPDF
DOI
10.1016/j.cpc.2021.107933

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