Re: MS-CASPT2 numerical gradient

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Posted by Roland Lindh on February 14, 2006 at 13:01:24:

In Reply to: MS-CASPT2 numerical gradient posted by Takao Kobayashi on February 02, 2006 at 08:38:32:

Hi,
with the numerical gradient option this should be possible.

-roland

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if B is 1s22s22p1, what is Li?

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