"Analytical gradients for subsystem density functional theory within the ..."

Danny Schlüns et al. (2017)

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DOI: 10.1002/JCC.24670

access: closed

type: Journal Article

metadata version: 2020-04-01

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Danny Schlüns, Mirko Franchini, Andreas W. Götz, Johannes Neugebauer, Christoph R. Jacob, Lucas Visscher:
Analytical gradients for subsystem density functional theory within the slater-function-based amsterdam density functional program. J. Comput. Chem. 38(4): 238-249 (2017)

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