Obtaining Robust Density Functional Tight-Binding Parameters for Solids across the Periodic Table
Author:
Affiliation:
1. Fritz Haber Institute of the Max Planck Society, 14195 Berlin, Germany
2. University of Bayreuth, Bavarian Center for Battery Technology (BayBatt), 95448 Bayreuth, Germany
Funder
China Scholarship Council
Publisher
American Chemical Society (ACS)
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.4c00228
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1. Atomistic Insights into Chemical Interface Damping of Surface Plasmon Excitations in Silver Nanoclusters
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3. The Effect Of Sulphur (S) Doping and K+ Adsorption To The Electronic Properties Of Graphene: A Study By DFTB Method
4. Photoinduced charge-transfer in chromophore-labeled gold nanoclusters: quantum evidence of the critical role of ligands and vibronic couplings
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