Somebody knows if it is possible to use CheMPS2 with the PCM solver ?
This has not been explicitly coded, nor tested. Thus I would say that no, it is not possible. I don’t know enough about DMRG to say how hard it would be to implement. I guess it would be something along the lines of the polarizable embedding-DMRG implementation It also looks like Molcas, coupled with QCMaquis, can run DMRG-SCF calculations w/wo reaction field (e.g. PCM)
Thanks for the help !!