Is it necessary to optimize a molecule to its global minimum, to run a TDDFT to obtain HOMO/LUMO, F, λmax, main orbital transition and UVvis in g09?

Hello, i need to generate a few parameters of excitation states in a series of molecules. I am using g09. I have a opensuse (linux) with 24 cores, Dell setup (i believe it configures a...

15 February 2020 9,617 5 View