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Hello,
I am trying to calculate the transition dipole moment between the two excited states with GAUSSIAN software and to extract the transition density between excited states for later calculations (transition charges and other parameters) with Multiwfn. Would this be the right keyword setting for QM calculations in GAUSSIAN?
GAUSSIAN input sample for transition density between states 1 and 3:
td=(singlets,nstates=5,root=1) cam-b3lyp/6-31g(d) density=transition=(3,1)
geom=connectivity iop(9/40=4) out=wfn Thanks in advance for the help!
Last edited by aerospace (2025-03-13 12:00:22)
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