Efficient implementation of analytical Raman intensities

In this study, we report an analytical derivative implementation of static polarizability gradients, needed for the prediction of Raman spectra, in the ORCA program. Our implementation is capable of handling density functionals up to the meta-GGA level and makes use of RIJ and COSX integral approximations to improve the scaling of calculations using both pure and hybrid functionals. Solvent effects can be included with CPCM. We examine the errors in RIJ and COSX Raman activities and find both ap