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On-The-Fly Computation of Frontal Orbitals in Density Matrix Expansions
Kruchinina, Anastasia, Rudberg, Elias, Rubensson, Emanuel H.Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.7b00968
Date:
December, 2017
File:
PDF, 2.61 MB
english, 2017