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De-excitations in TDDFT #51

@felixplasser

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@felixplasser

De-excitations in TDDFT are not parsed consistently.

  • Orca parses only X
  • Turbomole parses X+Y and puts that into occ-virt

Also: can we create a version of Omega that is corrected for de-excitations to yield Omega <= 1 for TDDFT?

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