new advances in quantum chemistry · 2011. 9. 29. · 4. recent advances 252 5. the trouble with...
TRANSCRIPT
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ADVANCES INQUANTUM CHEMISTRY
THEORY OF THE INTERACTION OF SWIFT ION SWITH MATTER. PART 2
JOHN R. SABIN
ERKKI BRANDAS
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Contributors
ix
Preface xi
Density Functional Theory-based Stopping Power for 3D and 2D Systems 1A. Sarasola, R . H. Ritchie, E . Zaremba and P . M. Echenique
1. Introduction
22. Linear theory of stopping power
43. Density functional theory
1 04. Final remarks and conclusions
26Acknowledgements
26References
27
Friction Force for Charged Particles at Large Distance sfrom Metal Surfaces
2 9
K. T6kesi, X .-M. Tong, C . Lemell and J . Burgdörfe r
1. Introduction
292. Theoretical background
3 23. Specular reflection model
3 64. Time dependent density functional theory
485. Comparison between SRM and TDDFT
5 66. Improvement of TDDFT at large distances
5 87. Conclusions
6 2Acknowledgements
6 2References
6 2
Resonant-Coherent Excitation of Channeled Ions
65F. J . Garcia de Abajo and V . H. Ponce
1. Introduction
6 62. Theoretical framework
7 23. Dynamical mixing of electronic states
7 64. Resonant-coherent excitation to the continuum
7 85. Full calculation and comparison with experiment
7 9Acknowledgements
8 3Appendix A . Coupled channel equations for the relevant bound states
8 3References
86
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The Barkas-Effect Correction to Bethe-Bloch Stopping Power
9 1
L. E. Porter
1. Historical background
9 12. Overview and perspective
9 7References
11 6
Molecular Stopping Powers from the Target Oscillato rStrength Distribution
12 1
Remigio Cabrera-Trujillo, John R. Sabin and Jens Oddershed e
1. Introduction
12 22. Precis of oscillator strength based stopping theory
12 43. Oscillator strength distributions
12 64. The polarization propagator
13 25. Some examples
13 96. Remarks and conclusions
14 7Acknowledgements
14 9References
14 9
Chemical and Physical State Effects in Electronic Stopping
15 3
Peter Bauer and Dieter Semrad
1. Introduction
15 32. Bragg's rule
15 53. Definition of PSE and CSE
15 64. Phenomenological description of PSE and CSE
15 65. Velocity dependence of CSE and PSE
15 7References
16 2
Calculation of Cross-Sections for Proton and Antiproton Stoppingin Molecules
165
Lukäg Pichl, Robert J . Buenker and Mineo Kimur a
1. Introduction
16 62. Theoretical model
16 83. Results and discussions
17 44. Conclusion
19 1References
19 2
Advances in the Core-and-Bond Formalism for Proton Stoppin gin Molecular Targets
195
Salvador A. Cruz and Jacques Soullard
1. Introduction
19 52. The Cores-and-Bond formalism
19 73. Mean excitation energy and the LPA
20 34. Advances in CAB studies of molecular stopping
20 65. Conclusions
23 6References
237
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Aspects of Relativistic Sum Rules
24 1
Scott M . Cohen
I . Introduction
24 12. Origin of sum rules
2443. Review of early work
2484. Recent advances
25 25. The trouble with relativity
2606. Conclusion
264Acknowledgements
264References
264
Stopping Power of an Electron Gas for Heavy Unit Charges :Models in the Kinetic Approximation
26 7
Istvdn Nagy and Barnabäs Apagyi
1. Introduction and motivations
2682. The target model
26 83. The microscopic model of stopping
2694. Screening
2735. Results
2776. Summary and remarks
28 8Acknowledgements
289References
290
High Z Ions in Hot, Dense Matter
29 3
James W. Dufty, Bernard Talin and Annette Calist i
1. Introduction
2932. Semi-classical statistical mechanics
2953. Green-Kubo relations at small velocities
2974. Impurity ion in an electron gas
2995. Summary and discussion
304Acknowledgements
304References
30 5
Interferences in Electron Emission from H 2 Inducedby Fast Ion Impact
307
N. Stolterfoht and B . Sulik
1. Introduction
3072. Bethe-Born approximation
31 03. Wave optical treatment
31 24. Quantum-mechanical treatment
31 75. Final remarks and conclusions
32 5Acknowledgements
32 6References
326
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Thoughts About Nanodosimetry
329
Hans Bichse l
1. Introduction
32 92. Interactions of charged particles with matter
33 03. Calculated energy loss spectra (`straggling functions') f(A;x)
33 24. A simulated energy deposition spectrum g(A,x)
3345. Realistic relation of energy loss to radiation effect
33 56. Conclusions
337References
33 7
Index
339
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