"New parallel algorithm for MP2 energy gradient calculations."

Kazuya Ishimura, Peter Pulay, Shigeru Nagase (2007)

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DOI: 10.1002/JCC.20731

access: closed

type: Journal Article

metadata version: 2020-10-26

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Kazuya Ishimura, Peter Pulay, Shigeru Nagase:
New parallel algorithm for MP2 energy gradient calculations. J. Comput. Chem. 28(12): 2034-2042 (2007)

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