CCL: G09: TDDFT adiabatic excitation energy

[John McKelvey <jmmckel:_:gmail.com>]

 Sent to CCL by: John McKelvey [jmmckel],[gmail.com]
 One might  some papers on this by Stefan Grimme by Googling him and
 looking at his pub list
 .
 John McKelvey
 On Thu, Apr 12, 2012 at 1:17 PM, Vera Cathrine
 vera.cathrine]-[yahoo.com <owner-chemistry]_[ccl.net> wrote:
 >
 > Sent to CCL by: "Vera  Cathrine" [vera.cathrine+/-yahoo.com]
 > Hello Everyone,
 >
 > I want to calculate the adiabatic energy difference between first excited
 state and the ground state for  my system. I would like to use DFT/BLYP
 method and TDDFT/BLYP method respectively for optimization of my geometries for
 these states. However, I am not sure how to calculate the gap between these
 state from out file. What are the keywords which I have to look for in the out
 files?
 > I would thank you for your help in advance.
 > Best regards,
 > Vera>      http://www.ccl.net/cgi-bin/ccl/send_ccl_message>;  
    http://www.ccl.net/cgi-bin/ccl/send_ccl_message>;  
    http://www.ccl.net/chemistry/sub_unsub.shtml>;  
    http://www.ccl.net/spammers.txt>;
 >
 --
 John McKelvey
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 260-489-2160
 jmmckel]_[gmail.com