Valence and charge-transfer optical properties for some SinCm(m,n≤ 12) clusters: Comparing TD-DFT, complete-basis-limit EOMCC, and benchmarks from spectroscopy-Reference-Cited by-同舟云学术

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Valence and charge-transfer optical properties for some SinCm(m,n≤ 12) clusters: Comparing TD-DFT, complete-basis-limit EOMCC, and benchmarks from spectroscopy

Published:2018-05-07 Issue:17 Volume:148 Page:174309
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Lutz Jesse J.¹²^ORCID,Duan Xiaofeng F.¹³,Ranasinghe Duminda S.²,Jin Yifan²^ORCID,Margraf Johannes T.²^ORCID,Perera Ajith²,Burggraf Larry W.¹^ORCID,Bartlett Rodney J.²

Affiliation:

1. Air Force Institute of Technology, Wright-Patterson Air Force Base, Ohio 45433, USA

2. Quantum Theory Project, University of Florida, Gainesville, Florida 32611, USA

3. Air Force Research Laboratory DoD Supercomputing Resource Center, Wright-Patterson Air Force Base, Ohio 45433, USA

Funder

Oak Ridge Associated Universities

Engineer Research and Development Center

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.5022701

Reference183 articles.

1. Review article: silicon carbide. Structure, properties and processing

2. K. Horowitz, T. Remo, and S. Reese, “A manufacturing cost and supply chain analysis of SiC power electronics applicable to medium-voltage motor drives,” Technical Report TP-6A20–67694, National Renewable Energy Laboratory, 2017.

3. Synthesis of silicon carbide nanocrystals from waste polytetrafluoroethylene

4. Semiconductor color-center structure and excitation spectra: Equation-of-motion coupled-cluster description of vacancy and transition-metal defect photoluminescence

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