عنوان

Spin dynamics in radical pairs /

(Number (ISBN

3030006867

(Number (ISBN

3030006875

(Number (ISBN

9783030006860

(Number (ISBN

9783030006877

Erroneous ISBN

3030006859

Erroneous ISBN

9783030006853

Title Proper

Spin dynamics in radical pairs /

General Material Designation

[Book]

First Statement of Responsibility

Alan Lewis.

Place of Publication, Distribution, etc.

Cham :

Name of Publisher, Distributor, etc.

Springer,

Date of Publication, Distribution, etc.

[2018]

Date of Publication, Distribution, etc.

©2018

Specific Material Designation and Extent of Item

1 online resource :

Other Physical Details

illustrations

Series Title

Springer theses

Text of Note

"Doctorial thesis accepted by the University of Oxford, UK."

Text of Note

Includes bibliographical references.

Text of Note

Intro; Supervisor's Foreword; Abstract; Parts of this thesis have been published in the following journal articles:; Acknowledgements; Contents; List of Figures; List of Tables; 1 Introduction; 1.1 Spin; 1.2 Radical Pair Reactions; 1.3 Magnetic Field Effects; 1.3.1 The High Field Effect; 1.3.2 The Low Field Effect; 1.3.3 Resonance Effect; 1.4 Applications; 1.4.1 Molecular Wires; 1.4.2 Avian Magnetoreception; 1.4.3 Magnetoelectroluminescence; 1.5 Outline of Thesis; References; 2 Quantum Mechanics; 2.1 The Hamiltonian; 2.1.1 Exchange Coupling; 2.1.2 Dipolar Coupling.

Text of Note

2.1.3 The Zeeman Interaction2.1.4 Hyperfine Interactions; 2.2 The Recombination Operator; 2.2.1 The Haberkorn Recombination Operator; 2.2.2 An Alternative Recombination Operator; 2.3 Observables; 2.4 Coherent Spin States; 2.5 An Efficient Quantum Mechanical Method; 2.6 Spin Correlation Tensors; 2.7 Relaxation; 2.7.1 Modulation of Hyperfine Tensors; 2.7.2 Singlet-Triplet Dephasing; 2.8 Conclusion; References; 3 Semiclassical Approximations; 3.1 The Semiclassical Theory; 3.2 Schulten-Wolynes Theory; 3.3 Comparison of Methods; 3.3.1 A Simple Radical Pair; 3.3.2 Asymmetric Recombination Rates.

Text of Note

3.3.3 Exchange Coupling3.4 Relaxation; 3.5 Conclusion; References; 4 Molecular Wires; 4.1 Mechanisms of Charge Recombination; 4.2 Simulation Details; 4.3 Results; 4.3.1 Shorter Wires; 4.3.2 Longer Wires; 4.4 Discussion; 4.4.1 Resonance Peak Widths; 4.4.2 Recombination Mechanisms; 4.4.3 The Origin of the Background; 4.5 Conclusions; References; 5 Avian Magnetoreception; 5.1 Background; 5.1.1 The Radical Pair Mechanism; 5.1.2 Cryptochrome; 5.1.3 The Magnetite Hypothesis; 5.2 A Prototypical Magnetoreceptor; 5.2.1 Simulation Details; 5.2.2 Results and Discussion; 5.3 Anisotropy.

Text of Note

5.3.1 Simplified Cryptochrome Models5.3.2 The Full Cryptochrome Radical Pair; 5.3.3 A Compass Needle?; 5.4 Conclusion; References; 6 Magnetoelectroluminescence; 6.1 The Polaron Pair Mechanism; 6.2 The Relationship Between MEL and MC; 6.3 Simulating the Singlet Yield; 6.3.1 Hyperfine Fields in DOO-PPV; 6.3.2 Singlet-Triplet Dephasing; 6.4 Results and Discussion; 6.5 Conclusion; References; 7 Conclusions and Further Work; 7.1 Conclusions; 7.1.1 Theory; 7.1.2 Applications; 7.2 Further Work; 7.2.1 Triphasic Magnetic Field Effects; 7.2.2 Relaxation; References; A Wavepacket Propagation Techniques.

Text of Note

A.1 The Short Iterative Arnoldi MethodA. 2 The Split Operator/Symplectic Integrator Method; Appendix B Rotationally Averaged Dipolar Coupling; Appendix C Generalising the Semiclassical Equations of Motion; Appendix D Schulten-Wolynes Expressions; Appendix E The Hyperfine Interactions of the Cryptochrome Radical Pair.

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Text of Note

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).

Source for Acquisition/Subscription Address

Springer Nature

Stock Number

com.springer.onix.9783030006860

Title

Spin dynamics in radical pairs.

International Standard Book Number

9783030006853

Electrons.

Nuclear spin.

Electricity, electromagnetism & magnetism.

Electrons.

Nuclear spin.

Physical chemistry.

Quantum & theoretical chemistry.

SCIENCE-- Physics-- Quantum Theory.

PNR

PNR

SCI-- 057000

Number

Edition

Class number

Lewis, Alan

Date of Transaction

20200823072106.0

Cataloguing Rules (Descriptive Conventions))

pn

Electronic name

[Book]

Y