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Symmetry variation in the excited-state calculations
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Topic: Symmetry variation in the excited-state calculations (Read 5842 times)
quantmx
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Symmetry variation in the excited-state calculations
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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
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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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Symmetry variation in the excited-state calculations