Molecular excitation dynamics and relaxation: quantum theory and spectroscopy
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| Main Authors: | , , |
|---|---|
| Format: | Book |
| Language: | English |
| Published: |
Weinheim
Wiley-VCH
2013
|
| Subjects: | |
| Online Access: | Inhaltstext Inhaltsverzeichnis |
| Physical Description: | XIII, 449 S. Ill., graph. Darst. 240 mm x 170 mm |
| ISBN: | 3527410082 9783527410088 9783527653652 9783527653669 9783527653676 |
Staff View
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IMAGE 1
CONTENTS
PREFACE XI PART ONE DYNAMICS AND RELAXATION 1
1 INTRODUCTION 3
2 OVERVIEW OF CLASSICAL PHYSICS 5
2.1 CLASSICAL MECHANICS 5
2.1.1 CONCEPTS OF THEORETICAL MECHANICS: ACTION, LAGRANGIAN, AND
LAGRANGE EQUATIONS 7 2.1.2 HAMILTON EQUATIONS 9 2.1.3 CLASSICAL HARMONIC
OSCILLATOR 11 2.2 CLASSICAL ELECTRODYNAMICS 13 ,2.2.1 ELECTROMAGNETIC
POTENTIALS AND THE COULOMB GAUGE 14
2.2.2 TRANSVERSE AND LONGITUDINAL FIELDS 14 2.3 RADIATION IN FREE SPACE
16
2.3.1 LAGRANGIAN AND HAMILTONIAN OF THE FREE RADIATION 16 2.3.2 MODES OF
THE ELECTROMAGNETIC FIELD 18 2.4 LIGHT-MATTER INTERACTION 20
2.4.1 INTERACTION LAGRANGIAN AND CORRECT CANONICAL MOMENTUM 20 2.4.2
HAMILTONIAN OF THE INTERACTING PARTICLE-FIELD SYSTEM 22
2.4.3 DIPOLE APPROXIMATION 23
3 STOCHASTIC DYNAMICS 27
3.1 PROBABILITY AND RANDOM PROCESSES 27 3.2 MARKOV PROCESSES 32
3.3 MASTER EQUATION FOR STOCHASTIC PROCESSES 33 3.3.1 TWO-LEVEL SYSTEM
36 3.4 FOKKER-PLANCK EQUATION AND DIFFUSION PROCESSES 37 3.5
DETERMINISTIC PROCESSES 39
3.6 DIFFUSIVE FLOW ON A PARABOLIC POTENTIAL (A HARMONIC OSCILLATOR) 41
3.7 PARTIALLY DETERMINISTIC PROCESS AND THE MONTE CARLO SIMULATION OF A
STOCHASTIC PROCESS 44 3.8 LANGEVIN EQUATION AND ITS RELATION TO THE
FOKKER-PLANCK EQUATION 46
HTTP://D-NB.INFO/1029120471
IMAGE 2
VI I CONTENTS
1
4 QUANTUM MECHANICS 51
4.1 QUANTUM VERSUS CLASSICAL 51
4.2 THE SCHRODINGER EQUATION 53
4.3 BRA-KET NOTATION 56
4.4 REPRESENTATIONS 57
4.4.1 SCHRODINGER REPRESENTATION 57 4.4.2 HEISENBERG REPRESENTATION 59
4.4.3 INTERACTION REPRESENTATION 60
4.5 DENSITY MATRIX 62
4.5.1 DEFINITION 61
4.5.2 PURE VERSUS MIXED STATES 63
4.5.3 DYNAMICS IN THE LIOUVILLE SPACE 65 4.6 MODEL SYSTEMS 66
4.6.1 HARMONIC OSCILLATOR 66 4.6.2 QUANTUM WELL 70
4.6.3 TUNNELING 71
4.6.4 TWO-LEVEL SYSTEM 73 4.6.5 PERIODIC STRUCTURES AND THE
KRONIG-PENNEY MODEL 76 4.7 PERTURBATION THEORY 81
4.7.1 TIME-INDEPENDENT PERTURBATION THEORY 81 4.7.2 TIME-DEPENDENT
PERTURBATION THEORY 86 4.8 EINSTEIN-COEFFICIENTS 89
4.9 SECOND QUANTIZATION 91
4.9.1 BOSONS AND-FERMIONS 93 4.9.2 PHOTONS 04
4.9.3 COHERENT STATES 96
5 QUANTUM STATES OF MOLECULES AND AGGREGATES 101 5.1 POTENTIAL ENERGY
SURFACES, ADIABATIC APPROXIMATION 101 5.2 INTERACTION BETWEEN MOLECULES
106 5.3 EXCITONICALLY COUPLED DIMER 107
5.4 FRENKEL EXCITONS OF MOLECULAR AGGREGATES 112 5.5 WANNIER-MOTT
EXCITONS 118
5.6 CHARGE-TRANSFER EXCITONS 121 5.7 VIBRONIC INTERACTION AND EXCITON
SELF-TRAPPING 124 5.8 TRAPPED EXCITONS 130
6 THE CONCEPT OF DECOHERENCE 133
6.1 DETERMINISM IN QUANTUM EVOLUTION 133 6.2 ENTANGLEMENT 136
6.3 CREATING ENTANGLEMENT BY INTERACTION 137 6.4 DECOHERENCE 139
6.5 PREFERRED STATES 144
6.6 DECOHERENCE IN QUANTUM RANDOM WALK 147 6.7 QUANTUM MECHANICAL
MEASUREMENT 149 6.8 BORN RULE 153
IMAGE 3
CONTENTS I VII
6.9 EVERETT OR RELATIVE STATE INTERPRETATION OF QUANTUM MECHANICS 154
6.10 CONSEQUENCES OF DECOHERENCE FOR TRANSFER AND RELAXATION PHENOMENA
15 6
7 STATISTICAL PHYSICS 161
7.1 CONCEPTS OF CLASSICAL THERMODYNAMICS 161 7.2 MICROSTATES,
STATISTICS, AND ENTROPY 165
7.3 ENSEMBLES 167
7.3.1 MICROCANONICAL ENSEMBLE 167 7.3.2 CANONICAL ENSEMBLE 169 7.3.3
GRAND CANONICAL ENSEMBLE 170 7.4 CANONICAL ENSEMBLE OF CLASSICAL
HARMONIC OSCILLATORS 172
7.5 QUANTUM STATISTICS 173
7.6 CANONICAL ENSEMBLE OF QUANTUM HARMONIC OSCILLATORS 174 7.7 SYMMETRY
PROPERTIES OF MANY-PARTICLE WAVEFUNCTIONS 176
7.7.1 BOSE-EINSTEIN STATISTICS 178 11.2 PAULI-DIRAC STATISTICS 180
7.8 DYNAMIC PROPERTIES OF AN OSCILLATOR AT EQUILIBRIUM TEMPERATURE 181
7.9 SIMULATION OF STOCHASTIC NOISE FROM A KNOWN CORRELATION FUNCTION 186
8 AN OSCILLATOR COUPLED TO A HARMONIC BATH 189 8.1 DISSIPATIVE
OSCILLATOR 189
.8.2 MOTION OF THE CLASSICAL OSCILLATOR 190 8.3 QUANTUM BATH 194
8.4. QUANTUM HARMONIC OSCILLATOR AND THE BATH:
DENSITY MATRIX DESCRIPTION 196 8.5 DIAGONAL FLUCTUATIONS 201
8.6 FLUCTUATIONS OF A DISPLACED OSCILLATOR 203
9 ' PROJECTION OPERATOR APPROACH TO OPEN QUANTUM SYSTEMS 209
9.1 LIOUVILLE FORMALISM 210
9.2 REDUCED DENSITY MATRIX OF OPEN SYSTEMS 212 9.3 PROJECTION
(SUPER)OPERATORS 213
9.4 NAKAJIMA-ZWANZIG IDENTITY 214 9.5 CONVOLUTIONLESS IDENTITY 216 9.6
RELATION BETWEEN THE PROJECTOR EQUATIONS IN LOW-ORDER PERTURBATION
THEORY 218
9.7 PROJECTION OPERATOR TECHNIQUE WITH STATE VECTORS 219
10 PATH INTEGRAL TECHNIQUE IN DISSIPATIVE DYNAMICS 223
10.1 GENERAL PATH INTEGRAL 223
10.1.1 FREE PARTICLE 228 10.1.2 CLASSICAL BROWNIAN MOTION 229 10.2
IMAGINARY-TIME PATH INTEGRALS 231 10.3 REAL-TIME PATH INTEGRALS AND THE
FEYNMAN-VERNON ACTION 233 10.4 QUANTUM STOCHASTIC PROCESS: THE
STOCHASTIC SCHRODINGER EQUATION 238
10.5 COHERENT-STATE PATH INTEGRAL 240
IMAGE 4
VIII | CONTENTS
10.6 STOCHASTIC LIOUVILLE EQUATION 243
11 PERTURBATIVE APPROACH TO EXCITON RELAXATION IN MOLECULAR AGGREGATES
245 11.1 QUANTUM MASTER EQUATION 246 11.2 SECOND-ORDER QUANTUM MASTER
EQUATION 247 11.3 RELAXATION EQUATIONS FROM THE PROJECTION OPERATOR
TECHNIQUE 252 11.4 RELAXATION OF EXCITONS 254
11.5 MODIFIED REDFIELD THEORY 256 11.6 FORSTER ENERGY TRANSFER RATES 258
11.7 LINDBLAD EQUATION APPROACH TO COHERENT EXCITON TRANSPORT 259 11.8
HIERARCHICAL EQUATIONS OF MOTION FOR EXCITONS 263 11.9 WEAK
INTERCHROMOPHORE COUPLING LIMIT 265
11.10 MODELING OF EXCITON DYNAMICS IN AN EXCITONIC DIMER 268 11.11
COHERENT VERSUS DISSIPATIVE DYNAMICS: RELEVANCE FOR PRIMARY PROCESSES IN
PHOTOSYNTHESIS 273
PART TWO SPECTROSCOPY 275
12 INTRODUCTION 277
13 SEMICLASSICAL RESPONSE THEORY 279 13.1 PERTURBATION EXPANSION OF
POLARIZATION: RESPONSE FUNCTIONS 280 13.2 FIRST OLDER POLARIZATION 284
13.2.1 RESPONSE FUNCTION AND SUSCEPTIBILITY 284 13.2.2 MACROSCOPIC
REFRACTION INDEX AND ABSORPTION COEFFICIENT 286
13.3 NONLINEAR'POLARIZATION AND SPECTROSCOPIC SIGNALS 288 13.3.1 N-WAVE
MIXING 288 13.3.2 PUMP PROBE 290
13.3.3 HETERODYNE DEJECTION 293
14 MICROSCOPIC THEORY OF LINEAR ABSORPTION AND FLUORESCENCE 295 14.1 A
MODEL OF A TWO-STATE SYSTEM 295 14.2 ENERGY GAP OPERATOR 296 14.3
CUMULANT EXPANSION OF THE FIRST ORDER RESPONSE 297 14.4 EQUATION OF
MOTION FOR OPTICAL COHERENCE 299 14.5 LIFETIME BROADENING 300
14.6 INHOMOGENEOUS BROADENING IN LINEAR RESPONSE 305 14.7 SPONTANEOUS
EMISSION 306 14.8 FLUORESCENCE LINE-NARROWING 309 14.9 FLUORESCENCE
EXCITATION SPECTRUM 311
15 FOUR-WAVE MIXING SPECTROSCOPY 315 15.1 NONLINEAR RESPONSE OF
MULTILEVEL SYSTEMS 315 15.1.1 TWO-AND THREE-BAND MOLECULES 316 15.1.2
LIOUVILLE SPACE PATHWAYS 319
15.1.3 THIRD ORDER POLARIZATION IN THE ROTATING WAVE APPROXIMATION 322
15.1.4 THIRD ORDER POLARIZATION IN IMPULSIVE LIMIT 327
IMAGE 5
CONTENTS | IX
15.2 MULTILEVEL SYSTEM IN CONTACT WITH THE BATH 329
15.2.1 ENERGY FLUCTUATIONS OF THE GENERAL MULTILEVEL SYSTEM 330 15.2.2
OFF-DIAGONAL FLUCTUATIONS AND ENERGY RELAXATION 332 15.2.3 FLUCTUATIONS
IN A COUPLED MULTICHROMOPHORE SYSTEM 333 15.2.4 INTER-BAND FLUCTUATIONS:
RELAXATION TO THE ELECTRONIC GROUND STATE 335 15.2.5 ENERGETIC DISORDER
IN FOUR-WAVE MIXING 338
15.2.6 RANDOM ORIENTATIONS OF MOLECULES 339 15.3 APPLICATION OF THE
RESPONSE FUNCTIONS TO SIMPLE FWM EXPERIMENTS 342 15.3.1 PHCRTON ECHO
PEAKSHIFT: LEARNING ABOUT SYSTEM-BATH INTERACTIONS 342 15.3.2 REVISITING
PUMP-PROBE 346 15.3.3 TIME-RESOLVED FLUORESCENCE 348
16 COHERENT TWO-DIMENSIONAL SPECTROSCOPY 351 16.1 TWO-DIMENSIONAL
REPRESENTATION OF THE RESPONSE FUNCTIONS 351 16.2 MOLECULAR SYSTEM WITH
FEW EXCITED STATES 358 16.2.1 TWO-STATE SYSTEM 358
16.2.2 DAMPED VIBRONIC SYSTEM - TWO-LEVEL MOLECULE 359 16.3 ELECTRONIC
DIMER 364
16.4 DIMER OF THREE-LEVEL CHROMOPHORES - VIBRATIONAL DIMER 372 16.5
INTERFERENCES OF THE 2D SIGNALS: GENERAL DISCUSSION BASED ON AN
ELECTRONIC DIMER 375 16.6 VIBRATIONAL VS. ELECTRONIC COHERENCES IN 2D
SPECTRUM OF MOLECULAR
SYSTEMS 379
17 TWO DIMENSIONAL SPECTROSCOPY APPLICATIONS FOR PHOTOSYNTHETIC
EXCITORIS 383 17.1 PHOTOSYNTHETIC MOLECULAR AGGREGATES 383 17.1.1
FENNA-MATTHEWS-OLSON COMPLEX 384 17.1.2 LH2 AGGREGATE OF BACTERIAL
COMPLEXES 385 17.1.3 PHOTOSYSTEM I (PS-I) 386 17.1.4 PHOTOSYSTEM II
(PS-II) 388 17.2 SIMULATIONS OF 2D SPECTROSCOPY OF PHOTOSYNTHETIC
AGGREGATES 389 17.2.1 ENERGY RELAXATION IN FMO AGGREGATE 389
17.2.2 ENERGY RELAXATION PATHWAYS IN PS-I 393
17.2.3 QUANTUM TRANSPORT IN PS-II REACTION CENTER 399
18 SINGLE MOLECULE SPECTROSCOPY 403 18.1 HISTORICAL OVERVIEW 403 18.2
HOW PHOTOSYNTHETIC PROTEINS SWITCH 405 18.3 DICHOTOMOUS EXCITON MODEL
410
APPENDIX 415
A.L ELEMENTS OF THE FIELD THEORY 435
A.2 CHARACTERISTIC FUNCTION AND CUMULANTS 417 A.3 WEYL FORMULA 419
A.4 THERMODYNAMIC POTENTIALS AND THE PARTITION FUNCTION 420 A.5 FOURIER
TRANSFORMATION 421
IMAGE 6
X | CONTENTS
A.6 BORN RULE 423
A.7 GREEN'S FUNCTION OF A HARMONIC OSCILLATOR 424 A.8 CUMULANT EXPANSION
IN QUANTUM MECHANICS 425 A.8.1 APPLICATION TO THE DOUBLE SLIT EXPERIMENT
427 A.8.2 APPLICATION TO LINEAR OPTICAL RESPONSE 428
A.8.3 APPLICATION TO THIRD ORDER NONLINEAR RESPONSE 429 A.9 MATCHING THE
HETERODYNED FWM SIGNAL WITH THE PUMP-PROBE 430 A. 10 RESPONSE FUNCTIONS
OF AN EXCITONIC SYSTEM WITH DIAGONAL AND OFF-DIAGONAL FLUCTUATIONS IN
THE SECULAR LIMIT 431
REFERENCES 437
INDEX 447 |
| any_adam_object | 1 |
| author | Valkunas, Leonas Abramavicius, Darius Mančal, Tomáš 1974- |
| author_GND | (DE-588)1038699983 (DE-588)1038700051 (DE-588)124986390 |
| author_facet | Valkunas, Leonas Abramavicius, Darius Mančal, Tomáš 1974- |
| author_role | aut aut aut |
| author_sort | Valkunas, Leonas |
| author_variant | l v lv d a da t m tm |
| building | Verbundindex |
| bvnumber | BV041272173 |
| classification_rvk | UM 3200 |
| classification_tum | CHE 160f CHE 150f |
| ctrlnum | (OCoLC)859540812 (DE-599)DNB1029120471 |
| dewey-full | 539.725 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 539 - Modern physics |
| dewey-raw | 539.725 |
| dewey-search | 539.725 |
| dewey-sort | 3539.725 |
| dewey-tens | 530 - Physics |
| discipline | Physik Chemie |
| format | Book |
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| id | DE-604.BV041272173 |
| illustrated | Illustrated |
| indexdate | 2024-08-03T00:55:40Z |
| institution | BVB |
| isbn | 3527410082 9783527410088 9783527653652 9783527653669 9783527653676 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-026245762 |
| oclc_num | 859540812 |
| open_access_boolean | |
| owner | DE-20 DE-19 DE-BY-UBM DE-91G DE-BY-TUM DE-83 DE-703 DE-11 DE-29T |
| owner_facet | DE-20 DE-19 DE-BY-UBM DE-91G DE-BY-TUM DE-83 DE-703 DE-11 DE-29T |
| physical | XIII, 449 S. Ill., graph. Darst. 240 mm x 170 mm |
| publishDate | 2013 |
| publishDateSearch | 2013 |
| publishDateSort | 2013 |
| publisher | Wiley-VCH |
| record_format | marc |
| spelling | Valkunas, Leonas Verfasser (DE-588)1038699983 aut Molecular excitation dynamics and relaxation quantum theory and spectroscopy Leonas Valkunas ; Darius Abramavicius and Tomáš Mančal Weinheim Wiley-VCH 2013 XIII, 449 S. Ill., graph. Darst. 240 mm x 170 mm txt rdacontent n rdamedia nc rdacarrier Angeregter Zustand (DE-588)4142423-2 gnd rswk-swf Quantenmechanik (DE-588)4047989-4 gnd rswk-swf Spektroskopie (DE-588)4056138-0 gnd rswk-swf Molekülzustand (DE-588)4246733-0 gnd rswk-swf Molekülzustand (DE-588)4246733-0 s Angeregter Zustand (DE-588)4142423-2 s Quantenmechanik (DE-588)4047989-4 s Spektroskopie (DE-588)4056138-0 s DE-604 Abramavicius, Darius Verfasser (DE-588)1038700051 aut Mančal, Tomáš 1974- Verfasser (DE-588)124986390 aut Erscheint auch als Online-Ausgabe, PDF 978-3-527-65368-3 X:MVB text/html http://deposit.dnb.de/cgi-bin/dokserv?id=4216936&prov=M&dok_var=1&dok_ext=htm Inhaltstext DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=026245762&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Valkunas, Leonas Abramavicius, Darius Mančal, Tomáš 1974- Molecular excitation dynamics and relaxation quantum theory and spectroscopy Angeregter Zustand (DE-588)4142423-2 gnd Quantenmechanik (DE-588)4047989-4 gnd Spektroskopie (DE-588)4056138-0 gnd Molekülzustand (DE-588)4246733-0 gnd |
| subject_GND | (DE-588)4142423-2 (DE-588)4047989-4 (DE-588)4056138-0 (DE-588)4246733-0 |
| title | Molecular excitation dynamics and relaxation quantum theory and spectroscopy |
| title_auth | Molecular excitation dynamics and relaxation quantum theory and spectroscopy |
| title_exact_search | Molecular excitation dynamics and relaxation quantum theory and spectroscopy |
| title_full | Molecular excitation dynamics and relaxation quantum theory and spectroscopy Leonas Valkunas ; Darius Abramavicius and Tomáš Mančal |
| title_fullStr | Molecular excitation dynamics and relaxation quantum theory and spectroscopy Leonas Valkunas ; Darius Abramavicius and Tomáš Mančal |
| title_full_unstemmed | Molecular excitation dynamics and relaxation quantum theory and spectroscopy Leonas Valkunas ; Darius Abramavicius and Tomáš Mančal |
| title_short | Molecular excitation dynamics and relaxation |
| title_sort | molecular excitation dynamics and relaxation quantum theory and spectroscopy |
| title_sub | quantum theory and spectroscopy |
| topic | Angeregter Zustand (DE-588)4142423-2 gnd Quantenmechanik (DE-588)4047989-4 gnd Spektroskopie (DE-588)4056138-0 gnd Molekülzustand (DE-588)4246733-0 gnd |
| topic_facet | Angeregter Zustand Quantenmechanik Spektroskopie Molekülzustand |
| url | http://deposit.dnb.de/cgi-bin/dokserv?id=4216936&prov=M&dok_var=1&dok_ext=htm http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=026245762&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| work_keys_str_mv | AT valkunasleonas molecularexcitationdynamicsandrelaxationquantumtheoryandspectroscopy AT abramaviciusdarius molecularexcitationdynamicsandrelaxationquantumtheoryandspectroscopy AT mancaltomas molecularexcitationdynamicsandrelaxationquantumtheoryandspectroscopy |