Accurate Prediction of Inverted Singlet–Triplet Excited States Using Self-Consistent Spin-Opposite Perturbation Theory
) upon implementation of density fitting approximations, O2BMP2 offers a good compromise of accuracy and computational efficiency for large-scale INVEST screening.
Authors
- Lan Nguyen Tran (ORCID: https://orcid.org/0000-0003-2649-2122)
- Hoang Thanh Nguyen (ORCID: https://orcid.org/0000-0003-0929-8010)
- Nhan Tri Tran (ORCID: https://orcid.org/0009-0002-2464-1294)
Institutions
- University of Science and Technology (YE)
- Vietnam National University Ho Chi Minh City (VN)
- Institute of Engineering Physics (RU)
- Department of Physics, Mathematics and Informatics (BY)
- Van Lang University (VN)
- Simulation Technologies (United States) (US)
- Vietnam Academy of Science and Technology (VN)
Publication Details
- Journal
- The Journal of Physical Chemistry A
- Published
- 2026-07-27
- DOI
- https://doi.org/10.1021/acs.jpca.6c02645
- Primary Topic
- Advanced Chemical Physics Studies
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- National Foundation for Science and Technology Development