CCL: INDO/S-CI in ZINDO ?
- From: Frank Neese <neese^^^thch.uni-bonn.de>
- Subject: CCL: INDO/S-CI in ZINDO ?
- Date: Sat, 12 Jul 2008 11:54:58 +0200
Sent to CCL by: Frank Neese [neese(-)thch.uni-bonn.de]
Dear Jiten,
yes, for example ORCA can do ZINDO/S single-reference CI or
multireference CI calculations and has transition metal parameters.
You get it for free at http://www.thch.uni-bonn.de/tc/orca/
Best regards,
FN
JITEN SINGH jiten_._postech.ac.kr schrieb:
Sent to CCL by: "JITEN SINGH" [jiten###postech.ac.kr]
Hi CCL members,
I know that the ZINDO in Material Studio from Accelrys have the ability to
perform INDO/S-CI used quite often for Transition metal complexes. I wonder if
any other QM program support this.
Sincerley,
Jiten
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Prof. Dr. Frank Neese
Lehrstuhl fuer Theoretische Chemie
Universitaet Bonn
Wegelerstr. 12
D-53115 Bonn, Germany
neese|,|thch.uni-bonn.de
Phone: +49-228-732351
FAX: +49-(0)228-739064
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