9780120348466

Advances in Quantum Chemistry

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  • ISBN13:

    9780120348466

  • ISBN10:

    0120348462

  • Edition: 1st
  • Format: Hardcover
  • Copyright: 2004-08-14
  • Publisher: Elsevier Science
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Summary

Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, and chemistry. With invited reviews written by leading international researchers, as well as regular thematic issues, each volume presents new results and provides a single vehicle for following progress in this interdisciplinary area. The intention of this volume, as with the previous 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 not possible 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.

Table of Contents

Contributors ix
Preface xi
Density Functional Theory-based Stopping Power for 3D and 2D Systems
1(28)
A. Sarasola
R. H. Ritchie
E. Zaremba
P. M. Echenique
Introduction
2(2)
Linear theory of stopping power
4(6)
Density functional theory
10(16)
Final remarks and conclusions
26(3)
Acknowledgements
26(1)
References
27(2)
Friction Force for Charged Particles at Large Distances from Metal Surfaces
29(36)
K. Tokesi
X.-M. Tong
C. Lemell
J. Burgdorfer
Introduction
29(3)
Theoretical background
32(4)
Specular reflection model
36(12)
Time dependent density functional theory
48(8)
Comparison between SRM and TDDFT
56(2)
Improvement of TDDFT at large distances
58(4)
Conclusions
62(3)
Acknowledgements
62(1)
References
62(3)
Resonant-Coherent Excitation of Channeled Ions
65(26)
F. J. Garcia de Abajo
V. H. Ponce
Introduction
66(6)
Theoretical framework
72(4)
Dynamical mixing of electronic states
76(2)
Resonant-coherent excitation to the continuum
78(1)
Full calculation and comparison with experiment
79(12)
Acknowledgements
83(1)
Appendix A. Coupled channel equations for the relevant bound states
83(3)
References
86(5)
The Barkas-Effect Correction to Bethe--Bloch Stopping Power
91(30)
L. E. Porter
Historical background
91(6)
Overview and perspective
97(24)
References
116(5)
Molecular Stopping Powers from the Target Oscillator Strength Distribution
121(32)
Remigio Cabrera-Trujillo
John R. Sabin
Jens Oddershede
Introduction
122(2)
Precis of oscillator strength based stopping theory
124(2)
Oscillator strength distributions
126(6)
The polarization propagator
132(7)
Some examples
139(8)
Remarks and conclusions
147(6)
Acknowledgements
149(1)
References
149(4)
Chemical and Physical State Effects in Electronic Stopping
153(12)
Peter Bauer
Dieter Semrad
Introduction
153(2)
Bragg's rule
155(1)
Definition of PSE and CSE
156(1)
Phenomenological description of PSE and CSE
156(1)
Velocity dependence of CSE and PSE
157(8)
References
162(3)
Calculation of Cross-Sections for Proton and Antiproton Stopping in Molecules
165(30)
Lukas Pichl
Robert J. Buenker
Mineo Kimura
Introduction
166(2)
Theoretical model
168(6)
Results and discussions
174(17)
Conclusion
191(4)
References
192(3)
Advances in the Core-and-Bond Formalism for Proton Stopping in Molecular Targets
195(46)
Salvador A. Cruz
Jacques Soullard
Introduction
195(2)
The Cores-and-Bond formalism
197(6)
Mean excitation energy and the LPA
203(3)
Advances in CAB studies of molecular stopping
206(30)
Conclusions
236(5)
References
237(4)
Aspects of Relativistic Sum Rules
241(26)
Scott M. Cohen
Introduction
241(3)
Origin of sum rules
244(4)
Review of early work
248(4)
Recent advances
252(8)
The trouble with relativity
260(4)
Conclusion
264(3)
Acknowledgements
264(1)
References
264(3)
Stopping Power of an Electron Gas for Heavy Unit Charges: Models in the Kinetic Approximation
267(26)
Istvan Nagy
Barnabas Apagyi
Introduction and motivations
268(1)
The target model
268(1)
The microscopic model of stopping
269(4)
Screening
273(4)
Results
277(11)
Summary and remarks
288(5)
Acknowledgements
289(1)
References
290(3)
High Z Ions in Hot, Dense Matter
293(14)
James W. Dufty
Bernard Talin
Annette Calisti
Introduction
293(2)
Semi-classical statistical mechanics
295(2)
Green--Kubo relations at small velocities
297(2)
Impurity ion in an electron gas
299(5)
Summary and discussion
304(3)
Acknowledgements
304(1)
References
305(2)
Interferences in Electron Emission from H2 Induced by Fast Ion Impact
307(22)
N. Stolterfoht
B. Sulik
Introduction
307(3)
Bethe--Born approximation
310(2)
Wave optical treatment
312(5)
Quantum-mechanical treatment
317(8)
Final remarks and conclusions
325(4)
Acknowledgements
326(1)
References
326(3)
Thoughts About Nanodosimetry
329(10)
Hans Bichsel
Introduction
329(1)
Interactions of charged particles with matter
330(2)
Calculated energy loss spectra (`straggling functions') f(Δ x)
332(2)
A simulated energy deposition spectrum g (Δ, x)
334(1)
Realistic relation of energy loss to radiation effect
335(2)
Conclusions
337(2)
References
337(2)
Index 339

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