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Calculation Of Frequency-dependent Polarizabilities

The calculation of frequency-dependent polarizabilities is invoked via

PROP=DYN_POL

and available for all schemes, for which analytic second derivatives are available.

Note that the calculation of frequency-dependent polarizabilities requires as an additional input the corresponding frequency (in a.u.) via a %frequency section.

Examples

Calculation of the Frequency-Dependent Polarizability Tensor

Recommendations for the Calculation of Frequency-Dependent Polarizabilities

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CFOUR is partially supported by the U.S. National Science Foundation.