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pro vyhledávání: '"A K Akshay Krishna"'
Autor:
Christof Köhler, Jolla Kullgren, Pavlin D. Mitev, Eddie Wadbro, A K Akshay Krishna, Peter Broqvist
Publikováno v:
Computer Physics Communications. 258:107602
We have developed an automated and efficient scheme for the fitting of data using Curvature Constrained Splines (CCS), to construct accurate two-body potentials. The approach enabled the construction of an oscillation-free, yet flexible, potential. W
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::833beea1c1319543f4b89114eb569327
https://doi.org/10.1016/j.cpc.2020.107602
https://doi.org/10.1016/j.cpc.2020.107602
