Re: Could you give me an example to calculate the frequencies for excited states?


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Posted by Roland Lindh on October 01, 2006 at 17:31:33:

In Reply to: Could you give me an example to calculate the frequencies for excited states? posted by sober on August 18, 2006 at 10:45:22:

It is not possible to compute vibrational energies but for the the states of the lowest energy of the respective irreps.

Roland Lindh




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if B is 1s22s22p1, what is Li?

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