CCL: G09: TDDFT adiabatic excitation energy

Dear John McKelvey,
You will be able to see the vertical excitation energy, which is nothing but what you are looking for, from the output file of TDDFT

On Fri, Apr 13, 2012 at 6:10 AM, John McKelvey jmmckel],[ <owner-chemistry|,|> wrote:

Sent to CCL by: John McKelvey [jmmckel],[]
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]-[ <owner-chemistry a> wrote:
> Sent to CCL by: "Vera  Cathrine" [vera.cathrine+/]
> 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>>>>>

John McKelvey
10819 Middleford Pl
Ft Wayne, IN 46818
jmmckel a

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Prof. Dr. N. Sekar   CCol FSDC
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