Posted by David Robinson on December 14, 2007 at 13:49:24:
How does one perform a numerical frequency calculation in Molcas 7.0? I'm trying to do this for an excited state obtained from CASSCF.Many thanks,David
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if B is 1s22s22p1, what is Li?
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Comments: : How does one perform a numerical frequency calculation in Molcas 7.0? I'm trying to do this for an excited state obtained from CASSCF. : Many thanks, : David