CFOUR_ESTATE_TRANS

Specifies whether just the excitation energies (OFF, =0) or in addition transition moments (EXPECTATION, =1) are calculated. Note that this keyword should not be used in excited-state calculations involving analytic gradients and that transition moments are essentially only available for EOM-CCSD/CCSD-LR.

  • Type: string

  • Possible Values: OFF, EXPECTATION

  • Default: OFF