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An improved semiclassical theory of radical pair recombination reactions

Abstract:

We present a practical semiclassical method for computing the electron spin dynamics of a radical in which the electron spin is hyperfine coupled to a large number of nuclear spins. This can be used to calculate the singlet and triplet survival probabilities and quantum yields of radical recombination reactions in the presence of magnetic fields. Our method differs from the early semiclassical theory of Schulten and Wolynes [J. Chem. Phys. 68, 3292 (1978)] in allowing each individual nuclear ...

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Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1063/1.4821817

Authors


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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Physical & Theoretical Chem
Oxford college:
St Edmund Hall
Role:
Author
ORCID:
0000-0002-7111-0763
More by this author
Institution:
University of Oxford
Division:
MPLS Division
Department:
Department of Chemistry
Sub department:
Physical & Theoretical Chem
Oxford college:
Corpus Christi College
Role:
Author
ORCID:
0000-0002-8863-570X
Publisher:
AIP Publishing Publisher's website
Journal:
Journal of Chemical Physics Journal website
Volume:
139
Issue:
12
Pages:
1-8
Publication date:
2013-09-24
Acceptance date:
2013-09-05
DOI:
EISSN:
1089-7690
ISSN:
0021-9606
Pmid:
24089749
Source identifiers:
431304
Language:
English
Keywords:
Pubs id:
pubs:431304
UUID:
uuid:7b4e8677-4e3c-4dd9-801a-dceed5db1719
Local pid:
pubs:431304
Deposit date:
2018-04-12

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