ROHF RPA TDDFT Excited Energies Calculation of Sc Failed on Mac using PBE0 and aug-cc-pvdz

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Forum Vet

8:57:57 AM PDT - Sun, Mar 10th 2019
A possible conclusion should be drawn as soon as raising the question: the negative excitation energy is irrational and wrong here, becuase it could not be below the reference state here.