Vibrational Frequency


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Posted by Dongwen Zhang on June 11, 2013 at 01:22:00:

Hi,

Recently, I am trying to calculated the Frank-Condon factor with the program fcclass. Two files are needed, which are the normal modes matrix and the transition electric dipole matrix. Can MOLCAS output these two files. I have checked the $Project.UnSym file and the data is not sufficient.

Many thanks!


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if B is 1s22s22p1, what is Li?

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