CCL: multi-reference CI



 Sent to CCL by: "Abrash, Samuel" [sabrash__richmond.edu]
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 MolPro is one program capable of doing MRD-CI.  For applications that
 don't require the precision of MRD-CI (which is a difficult method for
 non-experts), TD-DFT can give decent answers.  Gaussian 03 does support
 TD-DFT.
 Best,
 Sam
 Samuel A. Abrash
 Department of Chemistry
 University of Richmond
 Richmond, VA 23173
 Phone:  804-289-8248
 Fax:  804-297-1897
 E-mail:  sabrash__richmond.edu
 Web-page:  http://oncampus.richmond.edu/~sabrash
 "Rabbi Yitzhak said:  At the time God created the world and desired to
 reveal the depth of His being from out of the hidden, the light came
 > from the darkness and they were joined together.  Because of this, out
 of darkness came the light and out of the hidden came the revealed and
 out of the good came evil and out of mercy came severe judgement, and
 everything is intertwined  with everything else...the good inclination
 and the evil inclination, the right and the left." - The Zohar
 -----Original Message-----
 > From: owner-chemistry__ccl.net [mailto:owner-chemistry__ccl.net]
 Sent: Wednesday, September 21, 2005 2:37 PM
 To: Abrash, Samuel
 Subject: CCL: multi-reference CI
 Sent to CCL by: jz7|-|duke.edu
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 Dear all,
 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?
 Thanks a lot!
 Jeny