Posted by Joonghan Kim on September 08, 2007 at 02:40:20:
I have performed excited optimization using SA-CASSCF.But, I have failed to obtain vib. freq. of excited state.Is any way to obtain vib. freq. of excited state?
sincerely, jhkim
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if B is 1s22s22p1, what is Li?
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Comments: : I have performed excited optimization using SA-CASSCF. : But, I have failed to obtain vib. freq. of excited state. : Is any way to obtain vib. freq. of excited state? : sincerely, : jhkim