Elsevier S & T

Advances in Quantum Chemistry: Theory of the Interaction of Swift Ions with Matter, Part 1

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Table of contents
  • Contentsv
  • Contributorsix
  • Prefacexi
  • Chapter 1. The Theory and Computation of Energy Deposition Properties1
  • 1. Introduction1
  • 2. Some history2
  • 3. The situation today4
  • Acknowledgements4
  • References4
  • Chapter 2. Ionization and Energy Loss Beyond Perturbation Theory7
  • 1. Introduction8
  • 2. The coupled-channel method9
  • 3. Higher order effects24
  • 4. Photon vs. charged-particle ionization29
  • 5. Comparison with measurements33
  • 6. Simple models for the energy loss39
  • 7. What have we learned from coupled-channel calculations42
  • Acknowledgements43
  • References44
  • Chapter 3. Non-Linear Approach to the Energy Loss of Ions in Solids47
  • 1. Introduction48
  • 2. Bohr–Bethe–Bloch: the standard results for bare ions51
  • 3. Energy loss formulations54
  • 4. The scattering potential58
  • 5. Illustrative calculations59
  • 6. Stopping power calculations63
  • 7. An old question revisited: the equilibrium charge of ions in solids67
  • 8. Summary and outlook74
  • Acknowledgements76
  • References76
  • Chapter 4. Molecular Dynamics Simulations of Energy Deposition in Solids79
  • 1. Introduction80
  • 2. Molecular dynamics simulation methodology81
  • 3. Applications of molecular dynamics to irradiation effects in materials86
  • 4. Conclusions95
  • References96
  • Chapter 5. Dynamical Processes in Stopping Cross Sections99
  • 1. Introduction100
  • 2. Stopping power101
  • 3. Minimal electron-nuclear dynamics104
  • 4. Results106
  • 5. What is next?120
  • 6. Conclusions122
  • Acknowledgements123
  • References123
  • Chapter 6. The Treatment of Energy Loss in Terms of Induced Current Density125
  • 1. Introduction126
  • 2. Evolution of energy density distribution127
  • 3. Uniform electron gas130
  • 4. Local response approach, energy loss to atomic electrons143
  • 5. Energy loss-deflection angle correlation147
  • 6. Final remarks and conclusion156
  • Acknowledgements157
  • References157
  • Chapter 7. The Use of Green’s Functions in the Calculation of Proton Stopping Power159
  • 1. Introduction159
  • 2. Introduction of the green’s function161
  • 3. The ‘correction’ terms to order 1/EP167
  • 4. The structure of the green’s function term169
  • 5. Summary173
  • References174
  • Chapter 8. Charge Exchange Processes in Low Energy Ion–Metal Collisions175
  • 1. Introduction175
  • 2. Ion–metal interaction: ion levels and linewidths179
  • 3. Resonant processes: dynamic solution of the Newns–Anderson Hamiltonian184
  • 4. Auger processes186
  • 5. Results191
  • 6. Conclusions196
  • Acknowledgements197
  • References197
  • Chapter 9. Nonlinear Screening and Electron Capture Processes of Ions in Metals201
  • 1. Introduction202
  • 2. Nonlinear screening of ions in metals202
  • 3. Electron capture process208
  • 4. Dynamic response of a strongly perturbed electron gas216
  • 5. Final remarks and conclusions220
  • Acknowledgements220
  • References220
  • Chapter 10. Energy Loss in the Interaction of Atomic Particles with Solid Surfaces223
  • 1. Introduction223
  • 2. Linear theory of ion–surface interactions224
  • 3. Slow projectiles: nonlinear theory232
  • 4. Final remarks and conclusions242
  • Acknowledgements243
  • References243
  • Chapter 11. Nonlinear, Band-structure, and Surface Effects in the Interaction of Charged Particles w247
  • 1. Introduction248
  • 2. Theory249
  • 3. Results260
  • 4. Summary and conclusions271
  • Acknowledgements272
  • References273
  • Chapter 12. Electronic Stopping and Momentum Density of Diamond from First-Principles Treatment of t277
  • 1. Introduction277
  • 2. Formulation and method278
  • 3. Diamond280
  • Acknowledgements287
  • References287
  • Index289
Book details
  • Vendor Elsevier S & T
  • SKU 9780120348459
  • ISBN-13 9780080544076

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Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area.


The intention of this and the next volume in this series is to present the latest developments in the field of energy deposition as it is actually viewed by many of the major researchers working in this area. It is hard to incorporate all of the important players and all of the topics related to energy deposition in the limited space available; however the editors have tried to present the state of the art as it is now.

- High quality and thorough reviews of various aspects of quantum chemistry