Conical Intersections in Organic Molecules: Benchmarking Mixed-Reference Spin-Flip Time-Dependent DFT (MRSF-TD-DFT) vs. Spin-Flip TD-DFT
Lee, Seunghoon, Shostak, Svetlana A., Filatov, Michael, Choi, Cheol HoLanguage:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/acs.jpca.9b06142
Date:
July, 2019
File:
PDF, 2.75 MB
english, 2019