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Self-consistent GW calculations for single-molecule transport: Bridging the theory-experiment gap in single-molecule tr

Self-consistent GW calculations for single-molecule transport: Bridging the theory-experiment gap in single-molecule transport. Kristian S. Thygesen Center for Atomic-scale Materials Design (CAMD) Department of Physics Technical University of Denmark. A single molecule. LUMO. HOMO.

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Conductance calculations - PowerPoint PPT Presentation

Self-consistent GW calculations for single-molecule transport: Bridging the theory-experiment gap in single-molecule tr