Recent developments in the PySCF program package

Summary

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Authors: Qiming Sun, Xing Zhang, Samragni Banerjee, Peng Bao, Marc Barbry, Nick S. Blunt, Nikolay A. Bogdanov, George H. Booth, Jia Chen, Zhi Hao Cui, Janus J. Eriksen, Yang Gao, Sheng Guo, Jan Hermann, Matthew R. Hermes, Kevin Koh, Peter Koval, Susi Lehtola, Zhendong Li, Junzi LiuNarbe Mardirossian, James D. McClain, Mario Motta, Bastien Mussard, Hung Q. Pham, Artem Pulkin, Wirawan Purwanto, Paul J. Robin

Journal title: The Journal of Chemical Physics

Journal number: Volume 153, Issue 2

Journal publisher: American Institute of Physics

Published year: 2020

DOI identifier: 10.1063/5.0006074

ISSN: 0021-9606