One-Electron Energies from the Two-Component GW Method

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Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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Michael Kühn1, Florian Weigend1,2

  • 1Institut für Physikalische Chemie, Karlsruher Institut für Technologie , Kaiserstraße 12, 76131 Karlsruhe, Germany.

Journal of Chemical Theory and Computation
|November 19, 2015
PubMed

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