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An efficient method for quantum transport simulations in the time domain |
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| Authors: | Y WangC-Y Yam Th FrauenheimGH Chen TA Niehaus |
| Institution: | a Bremen Center for Computational Materials Science, University of Bremen, Germany b Department of Chemistry, The University of Hong Kong, Hong Kong, China c Department of Theoretical Physics, University of Regensburg, 93040 Regensburg, Germany |
| Abstract: | |
| Keywords: | Time dependent density functional theory Quantum transport Molecular electronics DFTB |
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