Fundamental Gaps of Condensed-Phase Organic Semiconductors from Single-Molecule Calculations using Polarization-Consistent Optimally Tuned Screened Range-Separated Hybrid Functionals
Journal Article
·
· Journal of Chemical Theory and Computation
[3];
[4];
[1]
- Department of Chemistry and Biochemistry, Kent State University, Kent, Ohio 44242, United States
- Department of Physics, University of Houston, Houston, Texas 77204, United States
- Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, United States
- Department of Materials and Interfaces, Weizmann Institute of Science, Rehovoth 76100, Israel
Not provided.
- Research Organization:
- Kent State Univ., Kent, OH (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC)
- DOE Contract Number:
- SC0016501
- OSTI ID:
- 1612595
- Journal Information:
- Journal of Chemical Theory and Computation, Vol. 14, Issue 12; ISSN 1549-9618
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- English
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