Time-dependent DFT applications

Au2: Response Properties
HCl: COSMO Response
CN: excitation energies open shell molecule
SiH2: spin-flip excitation energies
TiCl4: core excitation energies
Ne: (core) excitation energies including spin-orbit coupling
Hyperpol: Hyperpolarizabilities of He and H2
HF: Dispersion Coefficients
DMO: Circular Dichroism spectrum
DMO: Optical Rotation Dispersion
C2H4: Time-dependent current-density-functional theory

 

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