Can coupled-cluster methods be used to describe excited states of the building blocks of DNA?


Institute of Chemistry, Eötvös University, H-1518 Budapest, P.O. Box 32, Hungary. E-mail:


Recent developments in Coupled-Cluster (CC) theory of excited states, which allow the application of these expensive methods for nucleobases and even for their complexes, are overviewed. Accuracy of the methods is analyzed and some recent encouraging results summarized. Finally, we speculate about possible directions of future research and how the CC calculations can be extended to the electric properties of DNA, in particular transport properties. © 2013 Wiley Periodicals, Inc.