Modeling Multistate Photodynamics of Azobenzene Using Hybrid Computational Scheme
π* and ππ* states, in agreement with other theoretical simulations and experimental data. These results demonstrate that the proposed hybrid computational scheme provides a reliable description of multistate photochemical processes in molecular systems.
Authors
- Daeho Han (ORCID: https://orcid.org/0000-0003-2853-6571)
- Seung Kyu Min (ORCID: https://orcid.org/0000-0001-5636-3407)
- Michael J. Filatov (ORCID: https://orcid.org/0000-0002-1541-739X)
- Konstantin Komarov
Institutions
- Korea Advanced Institute of Science and Technology (KR)
- Institute for Basic Science (KR)
- Ulsan National Institute of Science and Technology (KR)
Publication Details
- Journal
- Journal of Chemical Theory and Computation
- Published
- 2026-04-22
- DOI
- https://doi.org/10.1021/acs.jctc.6c00330
- Primary Topic
- Photochromic and Fluorescence Chemistry
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- National Research Foundation of Korea
- Institute for Basic Science