most citedAccurate prediction of core-level spectra of radicals at density functional theory cost via square gradient minimization and recoupling of mixed configurations

48 citations · 48 across the 1 of their papers we have counts for

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1 paper

physics.chem-ph2020★ 48 cited

Accurate prediction of core-level spectra of radicals at density functional theory cost via square gradient minimization and recoupling of mixed configurations

Diptarka Hait, Eric A. Haugen, Zheyue Yang +3

State-specific orbital optimized approaches are more accurate at predicting core-level spectra than traditional linear-response protocols, but their utility had been restricted on…