Calculating oscillator strengths for triplet excitations

Started by mbeyhan, December 05, 2008, 11:15:29 AM

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mbeyhan

I'm trying to calculate the oscillator strengths for triplet excitations and the program stops without accomplishing it. In the output file, I see "ONE-PHOTON ABSORPTION STRENGTHS" as the last written thing but there is no further data.
However, for singlet excitations everything goes smoothly. Any idea about this, is this a bug?

andreas

Sorry, but transition moments are only implemented for spin-conserving operators. For those, there are not any transition moments from a singlet ground state into a triplet excited state. Best wishes, andreas