"PyCDFT : A Python package for constrained density functional theory."

He Ma et al. (2020)

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DOI: 10.1002/JCC.26354

access: closed

type: Journal Article

metadata version: 2022-10-02

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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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