In terms of flexibility and ability " Matlab" is first and last word in my mind for a wide range of applications such as : Optoelectronic devices and so on ...
Have a look at Sentaurus Device from Synopsys (http://www.synopsys.com/Tools/TCAD/DeviceSimulation/Pages/default.aspx)
Not sure about the best but Crosslight, Photon Design, Rsoft and Lumerical also sell opto-electronic software.
Otherwise, there's a big list of TCAD software at http://www.tcadcentral.com/index.php/Software ,some of which will be able to model optical effects.
you may also try the last version of Rsoft which is worthy of trying.
Maybe you've already got the right answer but if you are just starting out, then you should take a look at http://nanoHUB.org in order to learn about the different possible approaches. There is also http://www.iue.tuwien.ac.at/phd/minixhofer/node22.html for the history of TCAD software and http://icode.eln.uniroma2.it/ for another collection of simulation software.
I wrote some posts a year ago when I was looking into TCAD software:
http://thefreakazoid.blogspot.fr/2010/01/semiconductor-simulation-tcad.html
http://thefreakazoid.blogspot.fr/2010/03/t-cad-software-part-iii.html
(Crosslight-SUPREM) is a process simulation software package based on the SUPREM.IV.GS code developed at Integrated Circuits Laboratory, Stanford University. SUPREM.IV.GS (2D) has been recognized as the industrial standard in process simulation for integrated circuit (IC) design for over a decade. Crosslight greatly enhances the capability of the original code from Stanford and extends it from 2D to 3D.
I think you got the a compelet answer now. for freeware and open source 3D device simulation you can use Nextnano
In terms of flexibility and ability " Matlab" is first and last word in my mind for a wide range of applications such as : Optoelectronic devices and so on ...
I agree with Mr M H Mohammadzadeh. One more option is visual TCAD of Cogenda for simulation of optoelectronic devices.
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