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Conceptual Problem with Calculating Electron Densities in Finite Basis Density Functional Theory
Mayer, István, Pápai, Imre, Bakó, Imre, Nagy, ÁgnesLanguage:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.7b00562
Date:
August, 2017
File:
PDF, 144 KB
english, 2017