Journal article

Quantum Chemical Investigation of Exciton Coupling: Super-Molecular Calculations of a Merocyanine Dimer Aggregate

Lars Goerigk, Stefan Grimme

ChemPhysChem | WILEY-V C H VERLAG GMBH | Published : 2008

University of Melbourne Researchers


Funding Acknowledgements

We thank Martin Head-Gordon for providing us the improved lambda = 1 SCS-CIS(D) scaling parameters. This work was supported by the Deutsche Forschungsgemeinschaft in the framework of the SF8 424 (Molekulare Orientierung als Funktionskriterium in chemischen Systemen'). The authors thank C. Muck-Lichtenfeld for technical assistance.