"Energy-based automatic determination of buffer region in the ..."

Toshikazu Fujimori, Masato Kobayashi, Tetsuya Taketsugu (2021)

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DOI: 10.1002/JCC.26486

access: open

type: Journal Article

metadata version: 2021-05-14

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Toshikazu Fujimori, Masato Kobayashi, Tetsuya Taketsugu:
Energy-based automatic determination of buffer region in the divide-and-conquer second-order Møller-Plesset perturbation theory. J. Comput. Chem. 42(9): 620-629 (2021)

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