Journal article
An efficient quantum mechanical method for radical pair recombination reactions
- Abstract:
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The standard quantum mechanical expressions for the singlet and triplet survival probabilities and product yields of a radical pair recombination reaction involve a trace over the states in a combined electronic and nuclear spin Hilbert space. If this trace is evaluated deterministically, by performing a separate time-dependent wavepacket calculation for each initial state in the Hilbert space, the computational effort scales as O(Z(2)logZ), where Z is the total number of nuclear spin states...
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- Publication status:
- Published
- Peer review status:
- Peer reviewed
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(Version of record, pdf, 448.7KB)
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- Publisher copy:
- 10.1063/1.4972277
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Authors
Bibliographic Details
- Publisher:
- AIP Publishing Publisher's website
- Journal:
- Journal of Chemical Physics Journal website
- Volume:
- 145
- Issue:
- 24
- Pages:
- 244101
- Publication date:
- 2016-12-28
- Acceptance date:
- 2016-12-03
- DOI:
- EISSN:
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1089-7690
- ISSN:
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0021-9606
- Source identifiers:
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667803
Item Description
- Language:
- English
- Pubs id:
-
pubs:667803
- UUID:
-
uuid:9f267d37-a6dd-4687-a526-82851b0e2b07
- Local pid:
- pubs:667803
- Deposit date:
- 2017-01-02
Terms of use
- Copyright holder:
- Lewis et al
- Copyright date:
- 2016
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