Time-Dependent DFT
For all Time-Dependent DFT features (Excitation Energies, (Hyper) Polarizabilities, Dispersion Coefficients, Raman Scattering, include:
S.J.A van Gisbergen, J.G. Snijders, and E.J. Baerends, Comput. Phys. Commun. 118, 119, (1999)
Excitation Energies and Oscillator StrengthsPolarizabilities
Hyperpolarizabilities
Dispersion Coefficients
Circular Dichroism (CD)
Optical Rotation (OR), Optical Rotation Dispersion (ORD)
