Author Topic: Combining population analysis and ricc2.  (Read 5987 times)


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Combining population analysis and ricc2.
« on: April 09, 2013, 10:59:04 PM »

I want to use ricc2 to compute mulliken population analysis in both ground and excited state. Firstly: is it possible at all? If yes, how do I do it in define, to get the proper control file? I read this one: , but I am still not sure which module I should use (moloch, grad for ground, egradfor excited, ricc2) and how to make it calculate mulliken charges in excited state. Is it as same as to optimize excited state in ricc2?
I would really appreciate any help.