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Quantitative electron delocalization in solids from maximally localized Wannier functions
Otero-de-la-Roza, Alberto, Martín Pendás, Angel, Johnson, Erin RLanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.8b00549
Date:
August, 2018
File:
PDF, 1.68 MB
english, 2018