Excited state calculations with time-dependent DFT method
Gaussian
Also open-shell ground state.
Use keyword TD (G98 manual p. 155).
Chapter 9 (7, p. 173) in Exploring chemistry with electronic structure
methods gives a detailed description of the CIS method which has similar
input and output.
Use a normal SCF calculation input file and add in the final step:
TD(Nstates=12,Root=5) Density Pop=Full
where
Nstates is the number of interesting states and
Root is the root of interest (for population analysis and
geometry optimisation)
Only for a closed-shell ground state