Time-Dependent DFT: Response Properties

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 Strengths
Polarizabilities
Hyperpolarizabilities
Dispersion Coefficients
Raman Scattering
Circular Dichroism (CD)
Optical Rotation (OR), Optical Rotation Dispersion (ORD)

 

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