Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
Do we have to use more accurate basis set for TDDFT calculation?
Siddheshwar Chopra
sidhusai@gmail.com
Dear Sir,
Can I use more accurate basis set for setting up a TDDFT calculation? Say I use 6-31G basis set for DFT ground state calculation and use the optimized coordinates obtained here for TDDFT i/p file. Now in TDDFT file can I change the basis set 6-31G which was actually used in the previous run? One thing I know is more the basis functions, better the absorption spectra.
Regards,
![[ Previous ]](/ceilidh-icons/ceil_prv.gif)
![[ Next ]](/ceilidh-icons/ceil_nxt.gif)
![[ Index ]](/ceilidh-icons/ceil_ind.gif)
Tue Apr 29 '14 11:34am
![[ Reply ]](/ceilidh-icons/ceil_rep.gif)
![[ Edit ]](/ceilidh-icons/ceil_edt.gif)
![[ Delete ]](/ceilidh-icons/ceil_del.gif)
This message read 686 times