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Excited State Properties, Gradients and Geometries

Also for excited states presently unrelaxed and relaxed first-order properties are available in the ricc2 program. These are implemented for CCS and CC2. Note, that in the unrelaxed case CIS and CCS are not equivalent for excited-states first-order properties and no first-order properties are implemented for CIS in the ricc2 program.



Subsections

TURBOMOLE M