Calculating transition dipole moments
I am wondering if Dalton is capable of calculating excited-excited and ground-excited state transition dipole moments using methods other than CCSD. Currently, I am unable to even calculate these moments using CC(T) - Dalton outputs excited state permanent dipole moments but does not output any transition dipole moments.
I am using the following .DAL file for a linear (D2h symmetry) molecule:
**DALTON INPUT
.RUN WAVE FUNCTIONS
**INTEGRALS
.DIPLEN
**WAVE FUNCTIONS
.CC
*CC INPUT
.CCSD
.NSYM
8
*CCEXCI
.NCCEXCI !number of excited states
1 1 2 1 1 1 1 2
*CCFOP
.NONREL ! turn off orbital relaxation for excited-state properties
.DIPMOM ! print the ground state permanent dipole moment
*CCEXGR
.DIPOLE ! print the excited state permanent dipole moment
*CCLRSD
.DIPOLE ! print dipole and oscillator strength
*CCQR2R
.DIPOLE ! print transition moments between two excited states and GS
**END OF DALTON INPUT