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Author Topic: how to perform excitation energy calculation using RICC2  (Read 5523 times)

wuhen

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how to perform excitation energy calculation using RICC2
« on: September 05, 2010, 02:41:22 PM »
hi
I have done  geometric optimation for a molecular system, now, how i can get the excitation energy? Is somewhat should be added to control file?
regards
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christof.haettig

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Re: how to perform excitation energy calculation using RICC2
« Reply #1 on: November 18, 2010, 05:46:30 PM »
Well,  usually it a good idea to read first the manual before one starts a caluculation....
The TURBOMOLE manual will help you.

Christof
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