Re: Question on CASPT2 gradients

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Posted by Evgeniy on December 14, 2015 at 16:45:00:

In Reply to: Re: Question on CASPT2 gradients posted by Ignacio Fdez. Galván on December 05, 2015 at 17:40:12:

: Don't count on it. (This isn't a "no, never", but don't get your hopes high.)

: But you may expect other gradient improvements, check the upcoming Molcas 8 paper in JCC.

Thanks for the info!


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if B is 1s22s22p1, what is Li?

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