Verfügbarkeit: Vibronic coupling

Vibronic coupling: the interaction between the electronic and nuclear motions

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Bibliographische Detailangaben
1. Verfasser:	Fischer, Gad (VerfasserIn)
Format:	Buch
Sprache:	English
Veröffentlicht:	London [u.a.] Acad. Press 1984
Schriftenreihe:	Theoretical chemistry 9
Schlagworte:	Liaisons chimiques Structure moléculaire Chemical bonds Molecular structure Theorie Schwingung Vibronische Kopplung Jahn-Teller-Effekt Molekulardynamik Schwingungszustand Schrödinger-Gleichung Molekül Theoretische Chemie Kupplung Spektroskopie Koppelschwingung
Online-Zugang:	Inhaltsverzeichnis
Beschreibung:	VIII, 222 S.
ISBN:	0122572408

Internformat

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Datensatz im Suchindex

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adam_text	VIBRONIC COUPLING THE INTERACTION BETWEEN THE ELECTRONIC AND NUCLEAR MOTIONS GAD FISCHER DEPARTMENT OF CHEMISTRY BEN GURION UNIVERSITYOF THE NEGEV, BEER-SHEVA, ISRAEL 1984 @ ACADEMIC PRESS (HARCOURT BRACE JOVANOVICH, PUBLISHERS) LONDON ORLANDO SAN DIEGO SAN FRANCISCO NEW YORK TORONTO MONTREAL SYDNEY TOKYO SAEO PAULO CONTENTS PREFACE V 1 SEPARATION OF VARIABLES 1.1 THE SCHROEDINGER EQUATION 2 1.2 SEPARATION OF THE TIME-INDEPENDENT WAVE EQUATION. TRANSLATIONAL MOTION 4 1.3 SEPARATION OF THE CENTRAL-FIELD EQUATION 6 2 NUCLEAR MOTION SEPARABILITY IN DIATOMIC MOLECULES 2.1 EXPERIMENT VERSUS THEORY FOR THE HYDROGEN MOLECULE .. 9 2.2 SEPARATION OF THE CENTRE-OF-MASS MOTION 10 2.3 ADIABATIC APPROXIMATION 12 2.4 SEPARATION OF ROTATIONS AND VIBRATIONS 16 2.5 CALCULATIONS FOR THE H 2 MOLECULE 17 2.6 NON-ADIABATIC EFFECTS 20 2.7 POTENTIAL ENERGY CURVES 21 2.8 GENERATOR COORDINATE THEORY OF MOLECULAR SPECTRA . . .. 24 3 VIBRONIC COUPLING IN POLYATOMIC MOLECULES 3.1 THE SCHROEDINGER EQUATION 29 3.2 ADIABATIC APPROXIMATION 32 3.3 CORRECTIONS WITHIN ADIABATIC APPROXIMATIONS 35 3.4 BREAKDOWN OF ADIABATIC APPROXIMATIONS 39 3.5 TRANSITION MOMENTS 44 4 TRANSITION INTENSITY 4.1 TRANSITION MOMENTUM VERSUS TRANSITION LENGTH IN COM- PUTATION OF HERZBERG-TELLER INDUCED INTENSITY 47 4.2 BORN-OPPENHEIMER APPROXIMATION AND CALCULATION OF VIBRATIONAL TRANSITION INTENSITIES 50 VN VLLL CONTENTS 5 ELECTRONICALLY DEGENERATE STATES 5.1 RESONANCE LIMIT: JAHN-TELLER AND RENNER-TELLER EFFECTS . . 53 5.2 PSEUDO JAHN-TELLER EFFECT 76 6 VIBRONIC COUPLING CALCULATIONS 6.1 APPROACHES TO CALCULATIONS 88 6.2 A PRIORI CNDO CALCULATIONS 93 6.3 QUADRATIC AND HIGHER ORDER COUPLING 95 6.4 TWO-PHOTON ABSORPTION 97 6.5 BREAKDOWN OF BORN-OPPENHEIMER APPROXIMATION . . .. 101 7 ANHARMONICITY 7.1 OCCURRENCE AND RELEVANCE 106 7.2 ANHARMONICITY AND ADIABATIC WAVEFUNCTIONS 110 7.3 LOCAL MODES 115 7.4 ANHARMONICITY THROUGH NUCLEAR KINETIC ENERGY OPERATOR. . 118 8 ITNPLICATIONS AND MANIFESTATIONS IN MOLECULAR SPECTROSCOPY 8.1 ABSORPTION-EMISSION MIRROR SYMMETRY: TRANSITION MOMENT INTERFERENCES 120 8.2 RAMAN SCATTERING 138 8.3 CIRCULAR DICHROISM (CD) ^ 14 5 8.4 MULTIPHOTON ABSORPTION 149 9 MOLECULAR DYNAMICS 9.1 RADIATIONLESS TRANSITIONS IN ISOLATED MOLECULES 154 9.2 INTERMOLECULAR ENERGY TRANSFER 172 9.3 UNIMOLECULAR REACTIONS 177 10 THE SOLID STATE 10.1 NUCLEAR MOTIONS 183 10.2 FRENKEL EXCITON THEORY 184 10.3 MOLECULAR VIBRATIONS 186 10.4 EXCITON-PHONON INTERACTIONS 196 REFERENCES 205 FURTHER READING 208 APPENDICES 210 INDEX 217
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series	Theoretical chemistry
series2	Theoretical chemistry
spelling	Fischer, Gad Verfasser aut Vibronic coupling the interaction between the electronic and nuclear motions G. Fischer London [u.a.] Acad. Press 1984 VIII, 222 S. txt rdacontent n rdamedia nc rdacarrier Theoretical chemistry 9 Liaisons chimiques Structure moléculaire Chemical bonds Molecular structure Theorie (DE-588)4059787-8 gnd rswk-swf Schwingung (DE-588)4053999-4 gnd rswk-swf Vibronische Kopplung (DE-588)4234442-6 gnd rswk-swf Jahn-Teller-Effekt (DE-588)4162675-8 gnd rswk-swf Molekulardynamik (DE-588)4170370-4 gnd rswk-swf Schwingungszustand (DE-588)4054010-8 gnd rswk-swf Schrödinger-Gleichung (DE-588)4053332-3 gnd rswk-swf Molekül (DE-588)4039972-2 gnd rswk-swf Theoretische Chemie (DE-588)4185098-1 gnd rswk-swf Kupplung (DE-588)4033774-1 gnd rswk-swf Spektroskopie (DE-588)4056138-0 gnd rswk-swf Koppelschwingung (DE-588)4125169-6 gnd rswk-swf Koppelschwingung (DE-588)4125169-6 s Theoretische Chemie (DE-588)4185098-1 s DE-604 Vibronische Kopplung (DE-588)4234442-6 s Molekulardynamik (DE-588)4170370-4 s Molekül (DE-588)4039972-2 s Schwingungszustand (DE-588)4054010-8 s Theorie (DE-588)4059787-8 s Schrödinger-Gleichung (DE-588)4053332-3 s 1\p DE-604 Spektroskopie (DE-588)4056138-0 s 2\p DE-604 Jahn-Teller-Effekt (DE-588)4162675-8 s 3\p DE-604 Schwingung (DE-588)4053999-4 s 4\p DE-604 Kupplung (DE-588)4033774-1 s 5\p DE-604 Theoretical chemistry 9 (DE-604)BV000008549 9 GBV Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=000288575&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis 1\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk 2\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk 3\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk 4\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk 5\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk
spellingShingle	Fischer, Gad Vibronic coupling the interaction between the electronic and nuclear motions Theoretical chemistry Liaisons chimiques Structure moléculaire Chemical bonds Molecular structure Theorie (DE-588)4059787-8 gnd Schwingung (DE-588)4053999-4 gnd Vibronische Kopplung (DE-588)4234442-6 gnd Jahn-Teller-Effekt (DE-588)4162675-8 gnd Molekulardynamik (DE-588)4170370-4 gnd Schwingungszustand (DE-588)4054010-8 gnd Schrödinger-Gleichung (DE-588)4053332-3 gnd Molekül (DE-588)4039972-2 gnd Theoretische Chemie (DE-588)4185098-1 gnd Kupplung (DE-588)4033774-1 gnd Spektroskopie (DE-588)4056138-0 gnd Koppelschwingung (DE-588)4125169-6 gnd
subject_GND	(DE-588)4059787-8 (DE-588)4053999-4 (DE-588)4234442-6 (DE-588)4162675-8 (DE-588)4170370-4 (DE-588)4054010-8 (DE-588)4053332-3 (DE-588)4039972-2 (DE-588)4185098-1 (DE-588)4033774-1 (DE-588)4056138-0 (DE-588)4125169-6
title	Vibronic coupling the interaction between the electronic and nuclear motions
title_auth	Vibronic coupling the interaction between the electronic and nuclear motions
title_exact_search	Vibronic coupling the interaction between the electronic and nuclear motions
title_full	Vibronic coupling the interaction between the electronic and nuclear motions G. Fischer
title_fullStr	Vibronic coupling the interaction between the electronic and nuclear motions G. Fischer
title_full_unstemmed	Vibronic coupling the interaction between the electronic and nuclear motions G. Fischer
title_short	Vibronic coupling
title_sort	vibronic coupling the interaction between the electronic and nuclear motions
title_sub	the interaction between the electronic and nuclear motions
topic	Liaisons chimiques Structure moléculaire Chemical bonds Molecular structure Theorie (DE-588)4059787-8 gnd Schwingung (DE-588)4053999-4 gnd Vibronische Kopplung (DE-588)4234442-6 gnd Jahn-Teller-Effekt (DE-588)4162675-8 gnd Molekulardynamik (DE-588)4170370-4 gnd Schwingungszustand (DE-588)4054010-8 gnd Schrödinger-Gleichung (DE-588)4053332-3 gnd Molekül (DE-588)4039972-2 gnd Theoretische Chemie (DE-588)4185098-1 gnd Kupplung (DE-588)4033774-1 gnd Spektroskopie (DE-588)4056138-0 gnd Koppelschwingung (DE-588)4125169-6 gnd
topic_facet	Liaisons chimiques Structure moléculaire Chemical bonds Molecular structure Theorie Schwingung Vibronische Kopplung Jahn-Teller-Effekt Molekulardynamik Schwingungszustand Schrödinger-Gleichung Molekül Theoretische Chemie Kupplung Spektroskopie Koppelschwingung
url	http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=000288575&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA
volume_link	(DE-604)BV000008549
work_keys_str_mv	AT fischergad vibroniccouplingtheinteractionbetweentheelectronicandnuclearmotions

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