PySCF: the Python-based simulations of chemistry framework

Qiming Sun, Timothy C. Berkelbach, Nick S. Blunt, George H. Booth, Sheng Guo, Zhendong Li, Junzi Liu, James D. McClain, Elvira R. Sayfutyarova, Sandeep Sharma, Sebastian Wouters, Garnet Kin Lic Chan

Research output: Contribution to journal › Article › peer-review

1213 Scopus citations

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Material Science