Can I determine Raman intensities for open-shell systems?
One can do the following by hand. First calculate the normal modes “q” with ADF. Then calculate the polarizability tensor by applying finite electric fields at the geometries q_o + dq and q_o – dq. From this one can obtain, by double finite difference, the derivative of the polarizability w.r.t. a particular normal mode of interest. This should be less time-consuming then a regular Raman calculation as well.
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