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Spin-Orbit Interactions in Ultrafast Molecular Processes.
- Source :
-
Physical review letters [Phys Rev Lett] 2020 Jan 24; Vol. 124 (3), pp. 033001. - Publication Year :
- 2020
-
Abstract
- We investigate spin-orbit interactions in ultrafast molecular processes employing the exact factorization of the electron-nuclear wave function. We revisit the original derivation by including spin-orbit coupling, and show how the dynamics driven by the time-dependent potential energy surface alleviates inconsistencies arising from different electronic representations. We propose a novel trajectory-based scheme to simulate spin-forbidden non-radiative processes, and we show its performance in the treatment of excited-state dynamics where spin-orbit effects couple different spin multiplets.
Details
- Language :
- English
- ISSN :
- 1079-7114
- Volume :
- 124
- Issue :
- 3
- Database :
- MEDLINE
- Journal :
- Physical review letters
- Publication Type :
- Academic Journal
- Accession number :
- 32031839
- Full Text :
- https://doi.org/10.1103/PhysRevLett.124.033001