Correlation functional in screened‐exchange density functional theory procedures
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DOI: 10.1002/jcc.24882
Abstract: In the present study, we have explored several prospects for the further development of screened‐exchange density functional theory (SX‐DFT) procedures. Using the performance of HSE06 as our measure, we find that the use of alternative… read more here.
Keywords: density functional; exchange density; screened exchange; exchange ... See more keywords