Spin-Scaled Range-Separated Double-Hybrid Density Functional Theory for Excited States
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DOI: 10.1021/acs.jctc.1c00422
Abstract: Our recently presented range-separated (RS) double-hybrid (DH) time-dependent density functional approach [J. Chem. Theory Comput.17, 927 (2021)] is combined with spin-scaling techniques. The proposed spin-component-scaled (SCS) and scaled-opposite-spin (SOS) variants are thoroughly tested for almost… read more here.
Keywords: double hybrid; density functional; theory; separated double ... See more keywords