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ORCID"PyCDFT : A Python package for constrained density functional theory."
He Ma et al. (2020)
- He Ma
, Wennie Wang, Siyoung Kim, Man-Hin Cheng, Marco Govoni, Giulia Galli:
PyCDFT : A Python package for constrained density functional theory. J. Comput. Chem. 41(20): 1859-1867 (2020)
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