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CFOUR_ESTATE_TRANSΒΆ

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

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