rankings / method / HSE06-D4 / def2-QZVP

HSE06-D4 / def2-QZVP

HSE06-D4 / def2-QZVP is a DFT method — hybrid class · HSE06 + def2-QZVP + D4. ScoreMol scores it on 2 benchmark suites covering Reaction energy, Atomization energy, each run under the same protocol on held-out reference data with cluster-bootstrap confidence intervals.

Suites: MTK-55, QM9-X.