Predictive coupled-cluster isomer orderings for some SinCm(m,n≤ 12) clusters: A pragmatic comparison between DFT and complete basis limit coupled-cluster benchmarks-Reference-Cited by-同舟云学术

Predictive coupled-cluster isomer orderings for some SinCm(m,n≤ 12) clusters: A pragmatic comparison between DFT and complete basis limit coupled-cluster benchmarks

Published:2016-07-14 Issue:2 Volume:145 Page:024312
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Byrd Jason N.¹²^ORCID,Lutz Jesse J.¹^ORCID,Jin Yifan¹^ORCID,Ranasinghe Duminda S.¹,Montgomery John A.³^ORCID,Perera Ajith¹,Duan Xiaofeng F.⁴⁵,Burggraf Larry W.⁴^ORCID,Sanders Beverly A.¹⁶,Bartlett Rodney J.¹

Affiliation:

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

2. ENSCO, Inc., 4849 North Wickham Road, Melbourne, Florida 32940, USA

3. Department of Physics, University of Connecticut, Storrs, Connecticut 06269, USA

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

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

6. Department of Computer and Information Science and Engineering, University of Florida, Gainesville, Florida 32611, USA

Funder

u.s. department of defense high performance computing modernization program

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4955196

Reference123 articles.

1. Silicon quantum electronics

2. Nonlinear silicon photonics

3. Silicon spintronics

4. Coherent control of single spins in silicon carbide at room temperature

5. Excitons in nanoscale systems

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