Dynamics of molecule surface interactions:
Gespeichert in:
| 1. Verfasser: | |
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| Format: | Buch |
| Sprache: | English |
| Veröffentlicht: |
New York [u.a.]
Wiley
2000
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| Schriftenreihe: | A Wiley interscience publication
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| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | XII, 235 S. graph. Darst. |
| ISBN: | 0471331082 |
Internformat
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Datensatz im Suchindex
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| adam_text | DYNAMICS OF MOLECULE SURFACE INTERACTIONS GERT D. BILLING H. C. 0RSTED
INSTITUTE UNIVERSITY OF COPENHAGEN DENMARK A WILEY-INTERSCIENCE
PUBLICATION JOHN WILEY & SONS, INC. NEW YORK * CHICHESTER * WEINHEIM *
BRISBANE * SINGAPORE * TORONTO CONTENTS PREFACE XI 1 INTRODUCTION 1 1.1
SIMPLE ADSORPTION MODELS 3 2 BASIC CONCEPTS 12 2.1 LATTICE STRUCTURE AND
MILLER INDICES 12 2.2 RECIPROCAL LATTICE SPACE 19 2.3 LATTICE DYNAMICS
24 2.3.1 LATTICE DYNAMICS IN 3D-CRYSTALS 28 2.3.2 PHONONS (NORMAL MODE
SOLUTION) 31 2.4 ATOM-SURFACE SCATTERING, KINEMATICS 35 2.4.1 CROSS
SECTIONS 37 3 SURFACE DIFFUSION 41 3.1 MOLECULAR DYNAMICS CALCULATIONS
48 3.2 QUANTUM DIFFUSION 49 4 INTERACTION POTENTIALS 52 4.1 ATOM-SURFACE
INTERACTION 52 4.2 SEMI-EMPIRICAL MODELS 57 4.2.1 MULTISURFACE
REPRESENTATION 64 4.3 THE BOC-MP OR UBI-QEP METHODS 67 4.4 THE EDIM
POTENTIAL 68 4.5 DENSITY FUNCTIONAL THEORY 72 VII VIII CONTENTS 4.6
INTRAMOLECULAR POTENTIALS 75 4.7 CRYSTAL ENERGIES 76 5 QUANTUM TREATMENT
OF ATOM/MOLECULE-SURFACE SCATTERING 80 5.1 DISSIPATIVE QUANTUM METHODS
86 5.2 SIMPLE MODELS FOR ATOM-SURFACE SCATTERING 89 6 CLASSICAL
MECHANICAL TREATMENT 93 7 THE GENERALIZED LANGEVIN EQUATION 103 7.1 A
MODEL HAMILTONIAN 108 8 A SEMICLASSICAL APPROACH 112 8.1 NORMAL MODE
COORDINATES 115 8.2 A MODEL SYSTEM 118 8.3 THE EFFECTIVE HAMILTONIAN 123
8.3.1 CALCULATION OF AE INT 129 8.4 THE DEBYE-WALLER FACTOR 137 9
ELECTRON GAS THEORIES 142 9.1 A FREE-ELECTRON GAS TREATED WITHIN THE
HARTREE AND HARTREE-FOCK THEORIES 145 9.2 THE FERMI-THOMAS THEORY 149 10
DENSITY FUNCTIONAL THEORY 155 10.1 EXCHANGE-CORRELATION PARAMETRIZATION
158 10.2 REPRESENTATIONS 160 10.2.1 THE FAST FOURIER TRANSFORM METHOD
161 10.3 DIRECT DYNAMICS 162 11 ELECTRON-HOLE PAIR EXCITATION 165 11.1
ONE-ELECTRON MODELS 167 11.2 SECOND QUANTIZATION APPROACH 170 CONTENTS
IX 11.2.1 TWO-DIMENSIONAL BLOCH MODEL 172 11.2.2 DENSITY OF STATES 173
11.2.3 THE R-MATRIX PROBLEM 175 11.3 THE EFFECTIVE POTENTIAL 178 11.4
PHONON AND ELECTRON COUPLING 182 12 PERSPECTIVE 187 APPENDIX A RATE
CONSTANTS 190 APPENDIX B VALENCE BOND TREATMENT OF FOUR-ELECTRON SYSTEMS
196 APPENDIX C HARTREE AND HARTREE-FOCK METHODS 199 APPENDIX D THE
INVERSION PROBLEM 202 RECENT BOOKS AND REVIEW ARTICIES ON MOLECULE
SURFACE DYNAMICS 204 BIBLIOGRAPHY 205 ANSWERS TO EXERCISES 215 INDEX 233
|
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| indexdate | 2024-07-09T18:49:26Z |
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| isbn | 0471331082 |
| language | English |
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| spelling | Billing, Gert D. Verfasser aut Dynamics of molecule surface interactions Gert D. Billing New York [u.a.] Wiley 2000 XII, 235 S. graph. Darst. txt rdacontent n rdamedia nc rdacarrier A Wiley interscience publication Gas-solid interfaces Molecular dynamics Molecules Surfaces Surface chemistry Oberflächenchemie (DE-588)4126166-5 gnd rswk-swf Oberflächenchemie (DE-588)4126166-5 s DE-604 GBV Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=009319847&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Billing, Gert D. Dynamics of molecule surface interactions Gas-solid interfaces Molecular dynamics Molecules Surfaces Surface chemistry Oberflächenchemie (DE-588)4126166-5 gnd |
| subject_GND | (DE-588)4126166-5 |
| title | Dynamics of molecule surface interactions |
| title_auth | Dynamics of molecule surface interactions |
| title_exact_search | Dynamics of molecule surface interactions |
| title_full | Dynamics of molecule surface interactions Gert D. Billing |
| title_fullStr | Dynamics of molecule surface interactions Gert D. Billing |
| title_full_unstemmed | Dynamics of molecule surface interactions Gert D. Billing |
| title_short | Dynamics of molecule surface interactions |
| title_sort | dynamics of molecule surface interactions |
| topic | Gas-solid interfaces Molecular dynamics Molecules Surfaces Surface chemistry Oberflächenchemie (DE-588)4126166-5 gnd |
| topic_facet | Gas-solid interfaces Molecular dynamics Molecules Surfaces Surface chemistry Oberflächenchemie |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=009319847&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
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