Open Quantum System Approach to the Modeling of Spin Recombination Reactions

Details Open Quantum System Approach to the Modeling of Spin Recombination Reactions Open Quantum System Approach to the Modeling of Spin Recombination Reactions

2012-04-20

arxiv.org/abs/1204.4634v1

Physics

Chemical Physics

20 pages

Scientific paper

10.1021/jp209196a

In theories of spin-dependent radical pair reactions, the time evolution of the radical pair, including the effect of the chemical kinetics, is described by a master equation in the Liouville formalism. For the description of the chemical kinetics, a number of possible reaction operators have been formulated in the literature. In this work, we present a framework that allows for a unified description of the various proposed mechanisms and the forms of reaction operators for the spin-selective recombination processes. Based on the concept that master equations can be derived from a microscopic description of the spin system interacting with external degrees of freedom, it is possible to gain insight into the underlying microscopic processes and to develop a systematic approach towards determining the specific form of reaction operator in concrete scenarios.

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