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Adaptively Compressed Exchange Operator for Large-Scale Hybrid Density Functional Calculations with Applications to the Adsorption of Water on Silicene
Hu, Wei, Lin, Lin, Banerjee, Amartya S., Vecharynski, Eugene, Yang, ChaoVolume:
13
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/acs.jctc.6b01184
Date:
March, 2017
File:
PDF, 2.99 MB
english, 2017