Author Topic: Mulliken population analyses.  (Read 5198 times)

Addiw7

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Mulliken population analyses.
« on: April 03, 2013, 03:48:46 PM »
I just want to make sure that I calculate properly mulliken charges. I have optimized excited state geometry and this is my starting geometry. Now I use define, I choose prop in last menu, and than pop. In this submenu I choose mul and I do not change anything, so *. Is that okay to calculate Mulliken charges in S1 state? And which module should I use to calculate it in ricc2? Simply ricc2?