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(Hyper-)Polarizabilities, dispersion coefficients, ORD, magnetizabilities

A (frequency dependent) electric field induces a dipole moment in a molecule, which is proportional to the (frequency dependent) molecular polarizability. Van der Waals dispersion coefficients describe the long-range dispersion interaction between two molecules. Frequency-dependent (hyper)polarizabilities and van der Waals dispersion coefficients are available in ADF as applications of time-dependent DFT (TDDFT). Optical rotation or optical activity (ORD) is the rotation of linearly polarized light as it travels through certain materials. A (frequency dependent) magnetic field induces a magnetic moment in a molecule, which is proportional to the (frequency dependent) molecular magnetizability.

Polarizabilities
Accuracy and convergence, RESPONSE key
Hyperpolarizabilities
Van der Waals dispersion coefficients
Optical rotation dispersion (ORD)
AORESPONSE: Lifetime effects, polarizabilities, ORD, magnetizabilities
AORESPONSE key
Technical paramaters and expert options
Applications of AORESPONSE
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