TDA calculations are usually recommended as they are cheaper and the results are very similar between the two approaches.
Full-TDDFT calculations give more accurate intensities, however.
By calculating the difference in electron density in going from the ground state to the excited state often recovers the simple single-electron picture of excitations.
What if GDI and Nod failed to defeat CABAL during the Firestorm Crisis?
With both organizations destroyed by CABAL, nothing was stopping the rogue AI from conquering the world, replacing humanity with cybernetics.
Quick View ORCA Efficient aerodynamic design creates a long powerful cast.
The proprietary internal weight position produces an erratic pop & dive action.
Be aware of possible numerical errors due to the COSX grid, which are almost always minor (calculations on anions and with diffuse basis sets may have some grid sensitivity).