Ab initio effective one-electron potential operators: Applications for charge-transfer energy in effective fragment potentials

Bartosz Blasiak, Joanna D. Bednarska, Marta Choluj, Robert W. Góra, Wojciech Bartkowiak. Ab initio effective one-electron potential operators: Applications for charge-transfer energy in effective fragment potentials. Journal of Computational Chemistry, 42(6):398-411, 2021. [doi]

Authors

Bartosz Blasiak

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Joanna D. Bednarska

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Marta Choluj

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Robert W. Góra

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Wojciech Bartkowiak

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