Journal article icon

Journal article

An efficient quantum mechanical method for radical pair recombination reactions

Abstract:

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)log⁡Z), where Z is the total number of nuclear spin states...

Expand abstract
Publication status:
Published
Peer review status:
Peer reviewed
Version:
Publisher's version

Actions


Access Document


Files:
Publisher copy:
10.1063/1.4972277

Authors


More by this author
Department:
Oxford, MPLS, Chemistry, Physical & Theoretical Chem
Role:
Author
More by this author
Department:
Oxford, MPLS, Chemistry, Physical & Theoretical Chem
Role:
Author
More by this author
Department:
St Edmund Hall
Role:
Author
Publisher:
AIP Publishing Publisher's website
Journal:
Journal of Chemical Physics Journal website
Volume:
145
Issue:
24
Pages:
244101
Publication date:
2016-12-28
DOI:
EISSN:
1089-7690
ISSN:
0021-9606
Pubs id:
pubs:667803
URN:
uri:9f267d37-a6dd-4687-a526-82851b0e2b07
UUID:
uuid:9f267d37-a6dd-4687-a526-82851b0e2b07
Local pid:
pubs:667803
Paper number:
24
Language:
English

Terms of use


Metrics


Views and Downloads






If you are the owner of this record, you can report an update to it here: Report update to this record

TO TOP