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Charge Transport in Organic Materials: Norm-Conserving Imaginary Time Propagation with Local Ionization Energy as the

Maximilian Kriebel1, Dmitry Sharapa1, Timothy Clark1

  • 1Computer-Chemie-Centrum and Interdisciplinary Center for Molecular Materials, Department of Chemistry and Pharmacy, Friedrich-Alexander-Universität Erlangen-Nürnberg , Nägelsbachstrasse 25, 91052 Erlangen, Germany.

Journal of Chemical Theory and Computation
|October 20, 2017
PubMed

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