[molpro-user] (no subject)
Jana Honová
Honova.J at email.cz
Mon Nov 5 13:22:06 GMT 2012
Dear Molpro users,
I am trying to do TD-DFT calculation for a few lowest excited stateof
pigment and use this to predict its UV-VIS spectra.
I tried different variations of input but either it ends up with error or
calculation is done but without excited states as a result.
Could you please help me with giving me example of exact input file which
will calculate excited states by tddft?
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