CCL: difference between CI single and double excitations
- From: aditya khandavelli <svk003**latech.edu>
- Subject: CCL: difference between CI single and double
excitations
- Date: Sat, 1 Aug 2009 04:09:21 -0500
Dr. Close & Dr. Sukumar,
My special thanks to you for
responding. I actually performed ground state optimization on a system using a
DFT technique. After that i want to optimize the excited states of that
system, for that i wanted to use CI method. I was confused with the CIS and CID
methods and which one to use and which one is more accurate. And one more
question i would like to ask you is about the restricted CI and unrestricted CI,
the difference between the two. Kindly help me in this regard. I thank you one
again for your help
Regards,