Subject: CASSCF calculations on Ni --> Summary

From: Reinaldo Pis Diez <[email-masked]>
Date: Mon, 07 Aug 2000 21:26:39 -0300

Dear ccl'ers,

		Last week I asked about papers describing the nickel dimer at a cas level. 
		I wish to thank jan de kerpel and John Bushnell for their helpful answers
on the topic. Below are their replies to my original posting:

1) From John Bushnell 

Bauschlicher has done CASSCF/ICACPF calculations on Ni2 and Ni2+.  See:

Bauschlicher, C.W.; Partridge, H.; Langhoff, S.R.
Chem.Phys.Lett. (1992) volume 195, #4, pages 360-364.

2) From jan de kerpel

 I did a PhD in the group of Kristine Pierloot, University of Leuven,Belgium
(http://www.quantchem.kuleuven.ac.be/research/quantum/members_en.html).
She is an expert of CAS applied to transition metals. Contact here or
search in chemical
abstracts for papers of her
She has close collaborations with the group of bjorn roos, lund, who
developed MOlCAS.

		Thanks again.
		Regards,

							Reinaldo