Monte-Carlo wavefunction approach for the spin dynamics of recombining radicals
We adapt the Monte-Carlo wavefunction (MCWF) approach to treat the open-system spin dynamics of radical pairs subject to spin-selective recombination reactions. For these systems, non-Lindbladian master equations are widely employed, which account for recombination via the non trace-preserving Haber...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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IOP Publishing
2020-01-01
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| Series: | New Journal of Physics |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/1367-2630/aba76d |
| _version_ | 1797750376134344704 |
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| author | Robert H Keens Daniel R Kattnig |
| author_facet | Robert H Keens Daniel R Kattnig |
| author_sort | Robert H Keens |
| collection | DOAJ |
| description | We adapt the Monte-Carlo wavefunction (MCWF) approach to treat the open-system spin dynamics of radical pairs subject to spin-selective recombination reactions. For these systems, non-Lindbladian master equations are widely employed, which account for recombination via the non trace-preserving Haberkorn superoperator in combination with reaction-dependent exchange and singlet–triplet dephasing terms. We show that this type of master equation can be accommodated in the MCWF approach, by introducing a second type of quantum jump that accounts for the reaction simply by suitably terminating the propagation. In this way, we are able to evaluate approximate solutions to the time-dependent radical pair survival probability for systems that have been considered untreatable with the master equation approach until now. We explicate the suggested approach with calculations for radical pair reactions that have been suggested to be relevant for the quantum compass of birds and related phenomena. |
| first_indexed | 2024-03-12T16:31:52Z |
| format | Article |
| id | doaj.art-cac88e28064e437a8cfe3c29ed00266a |
| institution | Directory Open Access Journal |
| issn | 1367-2630 |
| language | English |
| last_indexed | 2024-03-12T16:31:52Z |
| publishDate | 2020-01-01 |
| publisher | IOP Publishing |
| record_format | Article |
| series | New Journal of Physics |
| spelling | doaj.art-cac88e28064e437a8cfe3c29ed00266a2023-08-08T15:27:08ZengIOP PublishingNew Journal of Physics1367-26302020-01-0122808306410.1088/1367-2630/aba76dMonte-Carlo wavefunction approach for the spin dynamics of recombining radicalsRobert H Keens0Daniel R Kattnig1https://orcid.org/0000-0003-4236-2627Living Systems Institute and Department of Physics, University of Exeter , Stocker Road, Exeter, Devon, EX4 4QD, United KingdomLiving Systems Institute and Department of Physics, University of Exeter , Stocker Road, Exeter, Devon, EX4 4QD, United KingdomWe adapt the Monte-Carlo wavefunction (MCWF) approach to treat the open-system spin dynamics of radical pairs subject to spin-selective recombination reactions. For these systems, non-Lindbladian master equations are widely employed, which account for recombination via the non trace-preserving Haberkorn superoperator in combination with reaction-dependent exchange and singlet–triplet dephasing terms. We show that this type of master equation can be accommodated in the MCWF approach, by introducing a second type of quantum jump that accounts for the reaction simply by suitably terminating the propagation. In this way, we are able to evaluate approximate solutions to the time-dependent radical pair survival probability for systems that have been considered untreatable with the master equation approach until now. We explicate the suggested approach with calculations for radical pair reactions that have been suggested to be relevant for the quantum compass of birds and related phenomena.https://doi.org/10.1088/1367-2630/aba76dquantum biologyradical pair mechanismmagnetic field effectcryptochromemagnetoreceptionopen system dynamics |
| spellingShingle | Robert H Keens Daniel R Kattnig Monte-Carlo wavefunction approach for the spin dynamics of recombining radicals New Journal of Physics quantum biology radical pair mechanism magnetic field effect cryptochrome magnetoreception open system dynamics |
| title | Monte-Carlo wavefunction approach for the spin dynamics of recombining radicals |
| title_full | Monte-Carlo wavefunction approach for the spin dynamics of recombining radicals |
| title_fullStr | Monte-Carlo wavefunction approach for the spin dynamics of recombining radicals |
| title_full_unstemmed | Monte-Carlo wavefunction approach for the spin dynamics of recombining radicals |
| title_short | Monte-Carlo wavefunction approach for the spin dynamics of recombining radicals |
| title_sort | monte carlo wavefunction approach for the spin dynamics of recombining radicals |
| topic | quantum biology radical pair mechanism magnetic field effect cryptochrome magnetoreception open system dynamics |
| url | https://doi.org/10.1088/1367-2630/aba76d |
| work_keys_str_mv | AT roberthkeens montecarlowavefunctionapproachforthespindynamicsofrecombiningradicals AT danielrkattnig montecarlowavefunctionapproachforthespindynamicsofrecombiningradicals |