Advances in Quantum Chemistry (eBook)

Cover 1
Contents 6
Contributors 10
Preface 17
Chapter 1. Magnetic Resonance Contributions to Other Sciences 22
1. Introduction 23
2. Magnetic Resonance and Nuclear Magnetic Moments 23
3. Magnetic Interactions in Molecules 24
4. Nuclear Electric Interactions in Molecules 24
5. Atomic Hyperfine Structure, Separated Oscillatory Fields and Atomic Clocks 25
6. Atomic Hyperfine Structure and QED 25
7. NMR 26
8. Magnetic Resonance Imaging 26
9. Conclusions 27
References 27
Chapter 2. A Single Quantum System: Evolution, Prediction, Observation 28
1. From ``Gedanken'' Experiments to Quantum Measurement 29
2. Evolution Frustrated by Observation? 31
3. Observations on a Driven Quantum System 33
4. Measurements on Single Ions 37
5. An Alternative Strategy 41
6. Summary 44
References 45
Chapter 3. The Quantum SI: A Possible New International System of Units 48
1. Introduction 48
2. International System of Units 49
3. The Kilogram and the Ampere 50
4. Possible Redefinitions of the Kilogram 51
5. Relation Between the Avogadro Constant and the Planck Constant 53
6. Other Redefinitions 54
7. Consequences for Other Fundamental Constants 55
8. The Quantum SI 55
9. The Second 56
10. Time Scale for Redefinitions 56
11. Conclusion 57
References 57
Chapter 4. Studies of Light Halo Nuclei from Atomic Isotope Shifts 58
1. Introduction 59
2. Theoretical Background 60
3. Solution to the Nonrelativistic Schrödinger Equation 60
4. Relativistic Corrections 64
5. QED Corrections 65
6. Applications to Nuclear Size Measurements 70
7. Summary and Conclusions 75
Acknowledgements 75
References 75
Chapter 5. Quantum Electrodynamics in One- and Two-Electron High-Z Ions 78
1. The Ground-State Binding Energy in H-Like Uranium 79
2. Strong Field QED in He-Like Heavy Ions 80
3. Summary 85
Acknowledgement 86
References 86
Chapter 6. Precise Atomic Masses for Fundamental Physics Determined at SMILETRAP 88
1. Introduction 89
2. The SMILETRAP Facility 90
3. Results and Discussions 95
4. Conclusion and Outlook 101
Acknowledgements 101
References 102
Chapter 7. HITRAP: A Facility at GSI for Highly Charged Ionsq1 104
1. The Present GSI Facility 105
2. The HITRAP Project 105
3. The HITRAP Facility 107
4. Experiments at HITRAP 110
5. The New GSI Facility 116
Acknowledgements 118
References 118
Chapter 8. Structure of Vacuum and Elementary Matter: From Superheavies via Hypermatter to Antimatter-The Vacuum Decay in Supercritical Fields 120
1. Introduction 121
2. Cold Valleys in the Potential 122
3. Shell Structure in the Superheavy Region 124
4. Asymmetric and Superasymmetric Fission-Cluster Radioactivity 127
5. Extension of the Periodic System into the Sections of Hyper- and Antimatter 136
6. Clusters of Matter and Antimatter 145
7. Theoretical Framework 146
8. Structure of Light Nuclei Containing Antiprotons 147
9. Doubly-Magic Lead with Antiproton and Anti-Alpha 148
10. Systems with Total Baryon Number Zero 150
11. Life Time, Formation Probability and Signatures of SBNs 151
12. Cold Compression: Nuclear and Quark Matter 153
13. The Vacuum in Quantum Electrodynamics 154
14. On Superheavy Element Formation and Beyond 157
15. Short Reflection on the Chemistry of Superheavy Elements 166
16. Concluding Remarks-Outlook 167
References 169
Chapter 9. Asymptotic Behavior of MP2 Correlation Energies for Closed-Shell Atoms 172
1. Introduction 173
2. Theory 175
3. Applications 186
4. Conclusions 193
Acknowledgements 195
References 195
Chapter 10. A Computer-Algebraic Approach to the Derivation of Feynman-Goldstone Perturbation Expansions for Open-Shell Atoms and Molecules 198
Dedication 199
1. Introduction 200
2. Rayleigh-Schrödinger Perturbation Theory 201
3. Operator Representations 209
4. Derivation of Perturbation Expansions 219
5. Application of the Goldstone Program 230
6. Final Remarks 234
References 235
Chapter 11. Experiments on Highly Charged Heavy Ions in Conjunction with Exotic Atoms 238
1. Introduction 239
2. Experimental Method 241
3. Measurement of the Pion Mass 246
4. Pionic Hydrogen and the Strong-Interaction at Low Energy 249
5. Highly-Charged Ions 251
6. Conclusion 253
Acknowledgements 254
References 254
Chapter 12. Conceptual Problems in Phenomenological Interpretation in Searches for Variation of Constants and Violation of Various Invariances 258
1. Introduction 259
2. Variation of Constants 260
3. Planck Scale Physics in Our Low-Energy World 267
4. External Fields and Related Effects 270
5. Microscopic and Macroscopic Description 272
6. Summary 273
References 273
Chapter 13. Extensive Calculations of High-Precision Energy Levels in Hydrogen and Deuterium Through a Least-Squares Adjustment 274
1. Introduction 275
2. Calculation of Energies with an Optimal Precision: Methods Involved 280
3. Conclusion 290
References 291
Subject Index 294