From chemistry-request -8 at 8- server.ccl.net Thu Aug 3 14:00:40 2000 Received: from dalton.quimica.unlp.edu.ar (dalton.quimica.unlp.edu.ar [163.10.18.1]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id OAA09024 for ; Thu, 3 Aug 2000 14:00:38 -0400 Received: from bilbo (jubert4.quimica.unlp.edu.ar [163.10.18.18]) by dalton.quimica.unlp.edu.ar (8.10.2/8.10.2) with SMTP id e73J41l30230 for ; Thu, 3 Aug 2000 15:04:01 -0400 Message-Id: <3.0.6.32.20000804030024.007bdba0#* at *#dalton.quimica.unlp.edu.ar> X-Sender: pis_diez $#at#$ dalton.quimica.unlp.edu.ar X-Mailer: QUALCOMM Windows Eudora Light Version 3.0.6 (32) Date: Fri, 04 Aug 2000 03:00:24 -0300 To: chemistry- at -ccl.net From: Reinaldo Pis Diez Subject: CASSCF calculations on Ni Mime-Version: 1.0 Content-Type: text/plain; charset="us-ascii" Dear ccl'ers, Is anyone aware of works on the nickel dimer using cas? I know a lot of dft-based works on the above system but I didn't heard about a cas calculation. I understand that it's a formidable task involving 20 electrons and about 15-20 orbitals. Thanks in advance. Regards, Reinaldo