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A (frequency dependent) magnetic field induces a magnetic moment in a molecule, which is proportional to the (frequency dependent) molecular magnetizability.
MCD or magnetic circular dichroism is the differential absorption of left and right circularly polarized light in the presence of a magnetic field. MCD intensity is usually described in terms of different contributions called A, B, C and D terms. D is proportional to the intensity of an absorption band and is closely related to the oscillator strength. The A and B terms for closed and open-shell molecules and C terms of open-shell molecules induced by spin-orbit coupling can be calculated.
The Faraday effects describes the rotation of the plane-polarized light due to a magnetic field, which is proportional to the intensity of the component of the magnetic field in the direction of the beam of light. The Verdet constant describes the strength of the Faraday effect for a particular molecule.
The calculation of the magnetizability, MCD and the Verdet constant is available in ADF as applications of time-dependent DFT (TDDFT).
ADF User Documentation: TDDFT,
magnetizability,
MCD,
Verdet constant
ADF-GUI: spectroscopic properties
Examples: MCD,
damped Verdet constant,
Verdet constant
References: MCD,
Verdet constant
