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Combining embedded mean-field theory with linear-scaling density-functional theory
Prentice, Joseph C A, Charlton, Robert J, Mostofi, Arash A., Haynes, Peter DJournal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.9b00956
Date:
November, 2019
File:
PDF, 3.16 MB
2019