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Spin Dynamics in Radical Pairs

  • Book
  • © 2018

Overview

Authors:
  1. Alan Lewis

    1. The James Franck Institute, University of Chicago, Chicago, USA

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  • Nominated as an outstanding Ph.D. thesis by the University of Oxford, England
  • Explores new methods of simulating radical pair reactions and their application to real systems
  • Provides a detailed discussion of the theory of spin dynamics

Part of the book series: Springer Theses (Springer Theses)

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Table of contents (7 chapters)

  1. Front Matter

    Pages i-xxi
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  2. Introduction

    • Alan Lewis
    Pages 1-17

  3. Quantum Mechanics

    • Alan Lewis
    Pages 19-43

  4. Semiclassical Approximations

    • Alan Lewis
    Pages 45-63

  5. Molecular Wires

    • Alan Lewis
    Pages 65-82

  6. Avian Magnetoreception

    • Alan Lewis
    Pages 83-107

  7. Magnetoelectroluminescence

    • Alan Lewis
    Pages 109-126

  8. Conclusions and Further Work

    • Alan Lewis
    Pages 127-137

  9. Back Matter

    Pages 139-156
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Keywords

About this book

This book sheds new light on the dynamical behaviour of electron spins in molecules containing two unpaired electrons (i.e. a radical pair). The quantum dynamics of these spins are made complicated by the interaction between the electrons and the many nuclear spins of the molecule; they are intractable using analytical techniques, and a naïve numerical diagonalization is not remotely possible using current computational resources. Hence, this book presents a new method for obtaining the exact quantum-mechanical dynamics of radical pairs with a modest number of nuclear spins. Readers will learn how a calculation that would take 13 years using conventional wavepacket propagation can now be done in 1 day, and will also discover a new semiclassical method for approximating the dynamics in the presence of many nuclear spins.

The new methods covered in this book are shown to provide significant insights into three topical and diverse areas: charge recombination in molecular wires(which can be used in artificially mimicking photosynthesis), magnetoelectroluminescence in organic light-emitting diodes, and avian magnetoreception (how birds sense the Earth’s magnetic field in order to navigate). 

Authors and Affiliations

  • The James Franck Institute, University of Chicago, Chicago, USA

    Alan Lewis

About the author

Alan Lewis graduated in 2013 with a first class honours degree in Chemistry from the University of Oxford. While studying he began his research career investigating molecular dynamics. He also completed his D.Phil. at the University of Oxford, where, supervised by Prof. David Manolopoulos, he studied both quantum and semiclassical theories of spin dynamics and their applications to radical pairs. In 2017, Alan moved to the University of Chicago to pursue research in electronic structure theory.

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