Accurate Hybrid Density Functionals with UW12 Correlation.
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DOI: 10.1021/acs.jctc.0c00442
Abstract: In previous work, we suggested a single-parameter hybrid functional containing a novel correlation contribution based on the Unsöld approximation, UW12. This model resembles the explicitly correlated part of MP2-F12 theory and can be written as… read more here.
Keywords: uw12 correlation; lyp osuw12; correlation; accurate hybrid ... See more keywords