at Google ScholarTitle data
Ghan, Simiam ; Kunkel, Christian ; Reuter, Karsten ; Oberhofer, Harald:
Improved Projection-Operator Diabatization Schemes for the Calculation of Electronic Coupling Values.
In: Journal of Chemical Theory and Computation.
Vol. 16
(2020)
Issue 12
.
- pp. 7431-7443.
ISSN 1549-9626
DOI: https://doi.org/10.1021/acs.jctc.0c00887
Further data
| Item Type: | Article in a journal |
|---|---|
| Refereed: | Yes |
| Institutions of the University: | Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics Faculties Faculties > Faculty of Mathematics, Physics und Computer Science Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Physics > Chair Theoretical Physics VII - Computational Materials Design (BayBatt) > Chair Theoretical Physics VII - Computational Materials Design (BayBatt) - Univ.-Prof. Dr. Harald Oberhofer |
| Result of work at the UBT: | No |
| DDC Subjects: | 500 Science > 530 Physics 500 Science > 540 Chemistry |
| Date Deposited: | 26 Jan 2022 14:06 |
| Last Modified: | 17 Feb 2022 12:38 |
| URI: | https://eref.uni-bayreuth.de/id/eprint/68501 |