Re: CCL:TDDFT calculations using Gaussian

[Ricardo Oliveira <organicjewellery-.at.-yahoo.com>]

 Hi Brian,
 the keyword you need is : TD.
 If you want x excited states you may use td(nstates=x)
 best wishes
 Ricardo Esplugas
 Sussex University
 email: r.o.esplugas-.at.-susx.ac.uk
 --- Brian Williams <williams-.at.-bucknell.edu> wrote:
 > Greetings-
 >
 > I am an experimentalist attempting to learn how to
 > use Gaussian in order to
 > calculate molecular properties.  I wish to calculate
 > vertical excited
 > electronic states using TDDFT, starting with an
 > optimized ground state
 > geometry calculated using B3LYP 6-31(d).  I have not
 > been able to locate an
 > example of how to set up the keywords to carry this
 > out- Foresman's book
 > mainly discusses CIS.  Thanks for any help.
 >
 > Brian Williams, Chemistry, Bucknell University
 >
 >
 >
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