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Péter G. Szalay Can coupled-cluster methods be used to describe excited states of the building blocks of DNA? International Journal of Quantum Chemistry 113

Article first published online: 25 JAN 2013 | DOI: 10.1002/qua.24392

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Recent developments in coupled-cluster theory of excited states allow the application of these expensive methods to the study of ever larger biomolecules, such as nucleobases and their complexes. In this perspective, some of the recent encouraging results in this direction are summarized, and the future directions in the application of these high-level methods to spectroscopy and charge transfer in DNA are discussed.

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