Electron Dynamics in Molecular Interactions: Principles and Applications
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| Main Author: | |
|---|---|
| Format: | Electronic eBook |
| Language: | English |
| Published: |
Singapore
World Scientific Publishing Company
2013
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| Subjects: | |
| Online Access: | FAW01 FAW02 Volltext |
| Item Description: | Print version record |
| Physical Description: | 1 online resource (968 pages) |
| ISBN: | 1848164874 1848164882 9781848164871 9781848164888 |
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| 505 | 8 | |a This volume provides a comprehensive introduction to the theory of electronic motion in molecular processes - an increasingly relevant and rapidly expanding segment of molecular quantum dynamics. Emphasis is placed on describing and interpreting transitions between electronic states in molecules as they occur typically in cases of reactive scattering between molecules, photoexcitation or nonadiabatic coupling between electronic and nuclear degrees of freedom. Electron Dynamics in Molecular Interactions aims at a synoptic presentation of some very recent theoretical efforts to solve the electro | |
| 505 | 8 | |a pt. I. Preparations. 1. Ab initio theory of electronic structure -- 2. The adiabatic and the diabatic representation -- 3. Basic concepts of scattering theory -- 4. Semiclassical notions -- 5. Open systems: Elements of rate theory -- pt. II. Methods. 6. Time-independent theory of molecular collisions I: Multichannel scattering -- 7. Time-independent theory of molecular collisions II: The electronic problem -- 8. The time-dependent self-consistent field theory -- 9. Evolution of coherent molecular states: Electron nuclear dynamics theory -- 10. The classical electron analog -- 11. Hopping and spawning -- 12. Semiclassical propagator techniques -- 13. Quantum hydrodynamics I: Coupled trajectories in Bohmian mechanics -- 14. Quantum hydrodynamics II: The semiclassical Liouville-Von Neumann equation -- 15. Wave packet propagation methods -- 16. Density functional dynamics -- 17. Decoherence -- pt. III. Special topics. 18. Ultrafast optical spectroscopy -- 19. Optical control of electron multistate molecular dynamics -- 20. Electron transfer in condensed media -- 21. Electronic friction in molecule-surface interactions | |
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| author | Hagelberg, Frank |
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| contents | This volume provides a comprehensive introduction to the theory of electronic motion in molecular processes - an increasingly relevant and rapidly expanding segment of molecular quantum dynamics. Emphasis is placed on describing and interpreting transitions between electronic states in molecules as they occur typically in cases of reactive scattering between molecules, photoexcitation or nonadiabatic coupling between electronic and nuclear degrees of freedom. Electron Dynamics in Molecular Interactions aims at a synoptic presentation of some very recent theoretical efforts to solve the electro pt. I. Preparations. 1. Ab initio theory of electronic structure -- 2. The adiabatic and the diabatic representation -- 3. Basic concepts of scattering theory -- 4. Semiclassical notions -- 5. Open systems: Elements of rate theory -- pt. II. Methods. 6. Time-independent theory of molecular collisions I: Multichannel scattering -- 7. Time-independent theory of molecular collisions II: The electronic problem -- 8. The time-dependent self-consistent field theory -- 9. Evolution of coherent molecular states: Electron nuclear dynamics theory -- 10. The classical electron analog -- 11. Hopping and spawning -- 12. Semiclassical propagator techniques -- 13. Quantum hydrodynamics I: Coupled trajectories in Bohmian mechanics -- 14. Quantum hydrodynamics II: The semiclassical Liouville-Von Neumann equation -- 15. Wave packet propagation methods -- 16. Density functional dynamics -- 17. Decoherence -- pt. III. Special topics. 18. Ultrafast optical spectroscopy -- 19. Optical control of electron multistate molecular dynamics -- 20. Electron transfer in condensed media -- 21. Electronic friction in molecule-surface interactions |
| ctrlnum | (OCoLC)879025271 (DE-599)BVBBV043039776 |
| dewey-full | 541.28 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 541 - Physical chemistry |
| dewey-raw | 541.28 |
| dewey-search | 541.28 |
| dewey-sort | 3541.28 |
| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie |
| format | Electronic eBook |
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| id | DE-604.BV043039776 |
| illustrated | Not Illustrated |
| indexdate | 2024-07-10T07:15:43Z |
| institution | BVB |
| isbn | 1848164874 1848164882 9781848164871 9781848164888 |
| language | English |
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| publishDate | 2013 |
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| spelling | Hagelberg, Frank Verfasser aut Electron Dynamics in Molecular Interactions Principles and Applications Singapore World Scientific Publishing Company 2013 1 online resource (968 pages) txt rdacontent c rdamedia cr rdacarrier Print version record This volume provides a comprehensive introduction to the theory of electronic motion in molecular processes - an increasingly relevant and rapidly expanding segment of molecular quantum dynamics. Emphasis is placed on describing and interpreting transitions between electronic states in molecules as they occur typically in cases of reactive scattering between molecules, photoexcitation or nonadiabatic coupling between electronic and nuclear degrees of freedom. Electron Dynamics in Molecular Interactions aims at a synoptic presentation of some very recent theoretical efforts to solve the electro pt. I. Preparations. 1. Ab initio theory of electronic structure -- 2. The adiabatic and the diabatic representation -- 3. Basic concepts of scattering theory -- 4. Semiclassical notions -- 5. Open systems: Elements of rate theory -- pt. II. Methods. 6. Time-independent theory of molecular collisions I: Multichannel scattering -- 7. Time-independent theory of molecular collisions II: The electronic problem -- 8. The time-dependent self-consistent field theory -- 9. Evolution of coherent molecular states: Electron nuclear dynamics theory -- 10. The classical electron analog -- 11. Hopping and spawning -- 12. Semiclassical propagator techniques -- 13. Quantum hydrodynamics I: Coupled trajectories in Bohmian mechanics -- 14. Quantum hydrodynamics II: The semiclassical Liouville-Von Neumann equation -- 15. Wave packet propagation methods -- 16. Density functional dynamics -- 17. Decoherence -- pt. III. Special topics. 18. Ultrafast optical spectroscopy -- 19. Optical control of electron multistate molecular dynamics -- 20. Electron transfer in condensed media -- 21. Electronic friction in molecule-surface interactions SCIENCE / Chemistry / Physical & Theoretical bisacsh Electrons fast Molecular dynamics fast Chemie Molecular dynamics Electrons http://search.ebscohost.com/login.aspx?direct=true&scope=site&db=nlebk&db=nlabk&AN=704494 Aggregator Volltext |
| spellingShingle | Hagelberg, Frank Electron Dynamics in Molecular Interactions Principles and Applications This volume provides a comprehensive introduction to the theory of electronic motion in molecular processes - an increasingly relevant and rapidly expanding segment of molecular quantum dynamics. Emphasis is placed on describing and interpreting transitions between electronic states in molecules as they occur typically in cases of reactive scattering between molecules, photoexcitation or nonadiabatic coupling between electronic and nuclear degrees of freedom. Electron Dynamics in Molecular Interactions aims at a synoptic presentation of some very recent theoretical efforts to solve the electro pt. I. Preparations. 1. Ab initio theory of electronic structure -- 2. The adiabatic and the diabatic representation -- 3. Basic concepts of scattering theory -- 4. Semiclassical notions -- 5. Open systems: Elements of rate theory -- pt. II. Methods. 6. Time-independent theory of molecular collisions I: Multichannel scattering -- 7. Time-independent theory of molecular collisions II: The electronic problem -- 8. The time-dependent self-consistent field theory -- 9. Evolution of coherent molecular states: Electron nuclear dynamics theory -- 10. The classical electron analog -- 11. Hopping and spawning -- 12. Semiclassical propagator techniques -- 13. Quantum hydrodynamics I: Coupled trajectories in Bohmian mechanics -- 14. Quantum hydrodynamics II: The semiclassical Liouville-Von Neumann equation -- 15. Wave packet propagation methods -- 16. Density functional dynamics -- 17. Decoherence -- pt. III. Special topics. 18. Ultrafast optical spectroscopy -- 19. Optical control of electron multistate molecular dynamics -- 20. Electron transfer in condensed media -- 21. Electronic friction in molecule-surface interactions SCIENCE / Chemistry / Physical & Theoretical bisacsh Electrons fast Molecular dynamics fast Chemie Molecular dynamics Electrons |
| title | Electron Dynamics in Molecular Interactions Principles and Applications |
| title_auth | Electron Dynamics in Molecular Interactions Principles and Applications |
| title_exact_search | Electron Dynamics in Molecular Interactions Principles and Applications |
| title_full | Electron Dynamics in Molecular Interactions Principles and Applications |
| title_fullStr | Electron Dynamics in Molecular Interactions Principles and Applications |
| title_full_unstemmed | Electron Dynamics in Molecular Interactions Principles and Applications |
| title_short | Electron Dynamics in Molecular Interactions |
| title_sort | electron dynamics in molecular interactions principles and applications |
| title_sub | Principles and Applications |
| topic | SCIENCE / Chemistry / Physical & Theoretical bisacsh Electrons fast Molecular dynamics fast Chemie Molecular dynamics Electrons |
| topic_facet | SCIENCE / Chemistry / Physical & Theoretical Electrons Molecular dynamics Chemie |
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