"Addressing an instability in unrestricted density functional theory direct ..."

Shreyas Malpathak, Xinyou Ma, William L. Hase (2019)

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DOI: 10.1002/JCC.25604

access: closed

type: Journal Article

metadata version: 2020-10-26

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Shreyas Malpathak, Xinyou Ma, William L. Hase:
Addressing an instability in unrestricted density functional theory direct dynamics simulations. J. Comput. Chem. 40(8): 933-936 (2019)

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