Symmetry variation in the excited-state calculations

Started by quantmx, August 11, 2009, 03:51:35 PM

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quantmx

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

Greetings,
Max

christof.haettig

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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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