tddft [view]
Closed-shell Systems : R-TD-DFT [view]
Open-shell Systems : U-TD-DFT and spin-adapted TD-DFT for spin-conserving excitations [view]
TD-DFT with spin-flip calculations [view]
Open-shell Systems : Spin-flip TD-DFT for spin-flip excitations [view]
TD-DFT with SOC [view]
TD-DFT with SOC: open-shell systems [view]
TD-DFT with SOC: Kramers pairs [view]
Excitation analyze based on molecular fragments [view]
Nto analyze [view]
Alternative of TD-DFT: particle-particle TDA (pp-TDA) based properties [view]
Plot Gaussian-broadened spectra [view]