CCL: multi-reference CI
- From: Mikael Johansson <mikael.johansson_+_helsinki.fi>
- Subject: CCL: multi-reference CI
- Date: Wed, 21 Sep 2005 23:00:14 +0300 (EEST)
Sent to CCL by: Mikael Johansson [mikael.johansson_+_helsinki.fi]
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Hello Jeny and All!
On Wed, 21 Sep 2005, CCL wrote:
> Which program can do the multi-reference CI calculation? I checked the
> most popular Gaussian program. The manual only mentions the direct CI.
> What other programs should I check?
At least Molcas (http://www.teokem.lu.se/molcas/) and Molpro
(http://www.molpro.net/)
have MR-CI capability.
Have a nice day,
Mikael J.
http://www.helsinki.fi/~mpjohans/