SMD Solvation Model

Questions
#1

Dear all,

I am calculating the solvatochromic shift of fluorescent organic chromophores with SMD solvation model using different functionals (representative meta-GGA, global hybrids and RSH functionals). I am considering cyclohexane ( ε = 2.03) and dichloromethane ( ε = 8.90). SMD is not able to distinguish between different solvents and gives the same emission energies and oscillator strengths. This is seen across all the different functionals. Is there a reason for this observed trend?

Best,
George.

#2

Continuum solvation models in general are famously poor for predicting intensities, accurate prediction of which often requires explicit solvent. In addition, for emission you should think about non-equilibrium corrections that are implemented for PCM but not for SMx. See here:
https://manual.q-chem.com/latest/subsec_tddft-cPCM.html

#3

Thank you for your reply!