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Author Topic: Symmetry variation in the excited-state calculations  (Read 5669 times)

quantmx

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Symmetry variation in the excited-state calculations
« on: August 11, 2009, 03:51:35 PM »
Is there a way to impose specific symmtry of excited state in the CC2 calculations?

Greetings,
Max

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christof.haettig

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Re: Symmetry variation in the excited-state calculations
« Reply #1 on: September 28, 2009, 11:12:35 AM »
Yes. You specify the symmetry for the excited state. It's described in the manual.
Christof
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