Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
Atomic charges for relaxed density in TDDFT
Is it possible to obtain atomic charges for the relaxed density in TDDFT? In CIS calculations, this is done at the same time with the gradient, but TDDFT gradients are still not present...
Tue Jun 22 '10 8:26pm
This message read 853 times