From owner-chemistry@ccl.net Wed Sep 21 16:03:57 2005
From: "CCL" <owner-chemistry_+_server.ccl.net>
To: CCL
Subject: CCL: multi-reference CI
Message-Id: <-29254-050921160021-12938-Y3QEVQEVoowf8wwUTYbDkQ_+_server.ccl.net>
X-Original-From: Mikael Johansson <mikael.johansson_+_helsinki.fi>
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Date: Wed, 21 Sep 2005 23:00:14 +0300 (EEST)
MIME-Version: 1.0


Sent to CCL by: Mikael Johansson [mikael.johansson_+_helsinki.fi]

--Replace strange characters with the "at" sign to recover email address--.


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/