Re: charges -CHELPG


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Posted by Jellby on June 16, 2006 at 10:22:36:

In Reply to: charges -CHELPG posted by Valdemir Ludwig on December 29, 2005 at 13:52:12:

You could try the ESP fit in molden. It's not CHELPG and I don't know if it uses the full casscf wavefunction, though.


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if B is 1s22s22p1, what is Li?

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