2020/05/09 by Robert H. Keens, Keens, Robert H., Daniel R. Kattnig +1 · 2 citations
Biochemistry, Genetics and Molecular Biology · Chemistry · Physics and Astronomy · #Biological Physics (physics.bio-ph) #Electron Spin Resonance Studies #FOS: Physical sciences #Photochemistry and Electron Transfer Studies #Quantum Physics (quant-ph) #Spectroscopy and Quantum Chemical Studies
paper · pdf · doi:10.48550/arxiv.2005.04417
openalex publication_date 2020/05/09 · openalex created_date 2022/07/26 · openalex updated_date 2026/07/28
We adapt the Monte-Carlo wavefunction (MCWF) approach to treat the\nopen-system spin dynamics of radical pairs subject to spin-selective\nrecombination reactions. For these systems, non-Lindbladian master equations\nare widely employed, which account for recombination via the non\ntrace-preserving Haberkorn superoperator in combination with reaction-dependent\nexchange and singlet-triplet dephasing terms. We show that this type of master\nequation can be accommodated in the MCWF approach, by introducing a second type\nof quantum jump that accounts for the reaction simply by suitably terminating\nthe propagation. In this way, we are able to evaluate approximate solutions to\nthe time-dependent radical pair survival probability for systems that have been\nconsidered untreatable with the master equation approach until now. We\nexplicate the suggested approach with calculations for radical pair reactions\nthat have been suggested to be relevant for the quantum compass of birds and\nrelated phenomena.\n