A real-time extension of density matrix embedding theory for non-equilibrium electron dynamics
Author:
Affiliation:
1. Divsion of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, USA
Funder
National Science Foundation
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/am-pdf/10.1063/1.5012766
Reference89 articles.
1. Molecular rectifiers
2. Electronics using hybrid-molecular and mono-molecular devices
3. Electron Transport in Molecular Wire Junctions
4. Molecular Electronics
5. Dye-Sensitized Solar Cells
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