If I calculate the UV/vis spectrum of the system, turbomole will give spectrum of both dye and surface. How can I separate the spectrum of system into individual dye and surface molecules? I think the spectrum of the system would make sense if surface and the dye molecule is found in a solution. I real life, the light is mostly reflected by the dye molecule, not by the surface. That's why, I think I need to found UV/vis spectrum of dye while it is interacting with the surface.
Thank you for your help.