Unstable States in the Continuous Spectra. Analysis, Concepts, Methods and Results

by Brändas; Nicolaides

• ISBN13: 9780123809001
• ISBN10: 0123809002
• Format: Hardcover
• Copyright: 2010-10-27
• Publisher: Elsevier Science

Summary

Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area. * Publishes articles, invited reviews and proceedings of major international conferences and workshops * Written by leading international researchers in quantum and theoretical chemistry * Highlights important interdisciplinary developments

Table of Contents

Preface	p. ix
Contributors	p. xi
Unstable States: From Quantum Mechanics to Statistical Physics	p. 1
Introduction	p. 2
Quantum Resonances	p. 3
Collisions	p. 26
Statistical Physics	p. 33
Concluding Remarks	p. 42
Acknowledgment	p. 42
Appendices	p. 42
References	p. 46
Unstable States in Laser Assisted and Controlled Molecular Processes	p. 51
Introduction	p. 52
General Theory of Laser-Molecule Interactions	p. 55
Numerical Methodologies	p. 68
Processes and Mechanisms for Molecular Fragmentations in IR and UV-Vis Frequency Regimes	p. 74
XUV+IR Pump-Probe Spectroscopy of Molecular Dissociative Ionization	p. 81
ZWRs and EPs in Molecular Photodissociation	p. 88
Conclusion	p. 99
Acknowledgments	p. 101
References	p. 101
Coherence Effects in Laser-Induced Continuum Structure	p. 105
Introduction	p. 106
A Brief Historical Survey of LICS	p. 107
ETT and its Connection with LICS	p. 108
QC and LICS	p. 128
The Connection between LICS, CC, and AP	p. 135
Summary	p. 149
Acknowledgments	p. 150
References	p. 150
Theory and State-Specific Methods for the Analysis and Computation of Field-Free and Field-Induced Unstable States in Atoms and Molecules	p. 163
Beyond Pure Formalism: The Importance of Solving Efficaciously the Many-Electron Problem (MEP) for Unstable (or No stationary, or Resonance) States in the Field-Free and Field-Induced Spectra of Many-Electron Atoms and Molecules	p. 167
Principal Characteristics of the Dominant Theoretical Approaches to the Computation of Unstable States in Atoms and Molecules Up to About the End of the 1960s-Early 1970s	p. 173
Field-Free Hamiltonian: The Form of Wavefunctions for Resonance States in the Context of Time- and of Energy-Dependent Theories and its Use for Phenomenology and Computation	p. 186
Aspects of the Nature and of the Preparation of ¿0 and of Its Connection to the Resonance Eigenfunction	p. 198
The Form of the Resonance Eigenfunction and the Complex Eigenvalue Schrödinger Equation	p. 208
Computation via the CESE SSA. Many-Body Expansion and Partial Widths with Interchannel Coupling	p. 214
Two Examples of Results from the Application of the CESE Approach	p. 217
The State-Specific Calculation of ¿0	p. 221
Understanding the Electronic Structures of Resonances and Their Effects on Spectra in the Framework of the SSA	p. 234
The Use of ¿0s and of Scattering Wavefunctions in the SSEA for the Solution of the TDSE	p. 245
Field-Induced Quantities Obtained as Properties of Resonance States in the Framework of the CESE-SSA	p. 246
Conclusion and Synopsis	p. 254
References	p. 258
Quantum Theory of Reactive Scattering in Phase Space	p. 269
Introduction	p. 271
Phase Space Structures Underlying Reaction Dynamics	p. 274
Quantum Normal Form Representation of the Activated Complex	p. 290
The Cumulative Reaction Probability	p. 296
Gamov-Siegert Resonances	p. 306
Further Challenges	p. 308
Conclusions	p. 317
Appendix	p. 318
Acknowledgments	p. 329
References	p. 329
The State-Specific Expansion Approach to the Solution of the Polyelectronic Time-Dependent Schrödinger Equation for Atoms and Molecules in Unstable States	p. 333
Introduction	p. 335
On the Nonperturbative Solution of the TDSE for Problems Where a Ground or an Excited State of an Atom (Molecule) Interacts With a Strong Electromagnetic Pulse of Short Duration	p. 343
AB Initio Computation of Unusual Time-Dependent Molecular Processes Using Judiciously Chosen Expansions for the ¿(t)	p. 349
The State-Specific Expansion Approach (SSEA)	p. 355
The Theory and Computation of Stationary State-Specific Wavefunctions for Low- and High-Lying States	p. 368
Applications of the SSEA	p. 382
Conclusion	p. 397
References	p. 398
Theory of Resonant States: An Exact Analytical Approach for Open Quantum Systems	p. 407
Introduction	p. 408
Properties of Resonant States in 3D (The Half-Line in ID)	p. 411
Extension to ID (the Full Line)	p. 422
Scattering and Tunneling in the Energy Domain	p. 426
Transient Phenomena	p. 433
Conclusions	p. 446
Acknowledgments	p. 447
Appendices	p. 448
References	p. 452
Quantum Electrodynamics of One-Photon Wave Packets	p. 457
Introduction	p. 458
Quantum Electrodynamics of a Material Two-level System-Basic Aspects	p. 460
Quantum Electrodynamics with Controlled Mode Selection	p. 467
Conclusions and Outlook	p. 480
References	p. 481
Quantum Decay at Long Times	p. 485
Introduction	p. 486
Examples and Simple Models	p. 491
Three-Dimensional Models of a Particle Escaping from a Trap	p. 495
Physical Interpretations of Long-time Decay	p. 501
The Problematic Experimental Observation	p. 511
Enhancing Post-Exponential Decay via Distant Detectors	p. 520
Final Comments	p. 529
Acknowledgments	p. 529
References	p. 529
Index	p. 537
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