"Parallel DFT gradients using the Fourier Transform Coulomb method."

Jon Baker, Krzysztof Wolinski, Peter Pulay (2007)

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DOI: 10.1002/JCC.20765

access: closed

type: Journal Article

metadata version: 2020-04-01

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Jon Baker, Krzysztof Wolinski, Peter Pulay:
Parallel DFT gradients using the Fourier Transform Coulomb method. J. Comput. Chem. 28(16): 2581-2588 (2007)

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