Electronic and optical properties of conjugated polymers:
Saved in:
| Main Author: | |
|---|---|
| Format: | Book |
| Language: | English |
| Published: |
Oxford
Oxford University Pr.
2013
|
| Edition: | 2. ed. |
| Series: | International series of monographs on physics
159 |
| Subjects: | |
| Online Access: | Inhaltsverzeichnis |
| Physical Description: | XIV, 305 S. |
| ISBN: | 9780199677467 |
Staff View
MARC
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| 100 | 1 | |a Barford, William |e Verfasser |4 aut | |
| 245 | 1 | 0 | |a Electronic and optical properties of conjugated polymers |c William Barford |
| 250 | |a 2. ed. | ||
| 264 | 1 | |a Oxford |b Oxford University Pr. |c 2013 | |
| 300 | |a XIV, 305 S. | ||
| 336 | |b txt |2 rdacontent | ||
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Record in the Search Index
| _version_ | 1804150450665029632 |
|---|---|
| adam_text | Contents
1
Introduction
to conjugated polymers
1
2
^-electron theories of conjugated polymers
7
2.1
Introduction
7
2.2
The many body Hamiltonian
7
2.3
The Born-Oppenheimer approximation
8
2.4
Second quantization of the Born-Oppenheimer Hamiltonian
10
2.5
spn hybridization
12
2.6
^electron models
14
2.7
Electron-nuclear coupling
17
2.8
Summary of
π
-electron
models
19
2.9
Symmetries and quantum numbers
22
3
Noninteracting electrons
26
3.1
Introduction
26
3.2
The noninteracting (Hiickel) Hamiltonian
26
3.3
The
ethylene dimer
27
3.4
Undimerized chains
30
3.5
Dimerized chains
33
3.6
The ground state and electron-hole excitations
36
3.7
Symmetries
38
3.8
Bond order
41
4
Electron-nuclear coupling I: Noninteracting electrons
44
4.1
Introduction
44
4.2
The Peierls model
45
4.3
The dimerized ground state
46
4.4
Self-consistent equations for
{Δη}
48
4.5 Solitons 50
4.6
Soliton-antisoliton pair production
54
4.7
Nondegenerate
systems
57
4.8
The continuum limit of the Su-Schrieffer-Heeger model
59
4.9
Polarons
61
4.10
Dynamics of the Su-Schrieffer-Heeger model
62
4.11
Self-trapping
63
4.12
Concluding remarks
63
5
Interacting electrons
65
5.1
Introduction
65
5.2
The weak-coupling limit
70
xii Contents
5.3
The strong-coupling limit
71
5.4
The phase diagram of the undoped Pariser-Parr-Pople model
74
5.5
The valence bond method
75
6
Excitons
in conjugated polymers
78
6.1
Introduction
78
6.2
The weak-coupling limit
79
6.3
The strong-coupling limit
93
6.4
The intermediate-coupling regime
96
6.5
Concluding remarks
98
7
Electron-nuclear coupling II: Interacting electrons
101
7.1
Introduction
101
7.2
The Pariser-Parr-Pople-Peierls model
102
7.3
Dimerization and optical gaps
103
7.4
Excited states and soliton structures
107
7.5
Polarons
ИЗ
7.6
Extrinsic dimerization
113
7.7
Quantum phase transition
114
7.8
Concluding remarks
118
8
Linear polyenes and irans-polyacetylene
120
8.1
Introduction
120
8.2
Predictions from the Pariser-Parr-Pople-Peierls model
123
8.3
Role of nuclear zero-point fluctuations
128
8.4
Character of the excited states of irans-polyacetylene
129
8.5
Other theoretical approaches
131
9
Light emitting polymers
132
9.1
Introduction
132
9.2
Po ly(
para -pheny
lene)
137
9.3
Poly(para-phenylene
vinylene)
150
9.4
Other theoretical approaches
152
9.5
Exciton binding energies
158
9.6
The excited states of light emitting polymers
159
9.7
Electronic coupling to nuclear degrees of freedom
161
10
Exciton localization in disordered polymers
168
10.1
Introduction
168
10.2
Definition of the exciton conjugation length
169
10.3
Origins of disorder
170
10.4
Localization of vertical excitations
171
10.5
Dynamical localization
184
10.6
Concluding remarks
189
11
Optical processes in conjugated polymers
192
11.1
Introduction
192
11.2
Linear optical processes
193
Contents xiii
11.3 Evaluation
of the transition
dipole
moments
194
11.4
Nonlinear optical processes
204
11.5
Size-dependencies of
χ^
210
11.6
Photophysical processes in conjugated polymers
211
12
Excitonic processes in conjugated polymers
212
12.1
Introduction
212
12.2
Exciton transfer
212
12.3
Exciton diffusion in the condensed phase
226
12.4
Excited molecular complexes
231
12.5
Second order dispersion interactions
232
13
Epilogue
240
Appendix A Dirac bra-
ket
operator representation of one-particle
Hamiltonians
242
A.I The Hiickel Hamiltonian
242
A.
2
The Frenkel exciton Hamiltonian
243
Appendix
В
Electron-hole symmetry and average occupation
number
245
Appendix
С
Single-particle eigensolutions of a periodic poly¬
mer chain
247
C.I Dimerized chain
248
C.2 Poly(par<2-phenylene)
249
Appendix
D
The
Holstein
model
250
D.I The model
251
D.2 General solutions
253
D.3 Variational calculation
254
D.4 Optical intensities
254
Appendix
E
Derivation of the effective-particle
Schrödinger
equa¬
tion
257
Appendix
F Hydrogenic
solutions of the effective-particle exci¬
ton models
262
F.I The weak-coupling limit
262
F.2 The strong-coupling limit
265
Appendix
G Valence-bond
description of benzene
267
Appendix
H
Derivation of the Frenkel exciton Hamiltonian
270
Appendix I Evaluation of the electronic transition
dipole
mo¬
ments
277
1.1 The weak-coupiing limit
277
1.2
The strong-coupling limit
280
xiv Contents
Appendix
J
Spin-orbit coupling in
π
-conjugated
polymers
281
J.I Spin-orbit coupling of TT-electrons
281
J.2 Symmetry restrictions on spin-orbit coupling
282
J.3 Spin-orbit coupling and spatial wavefunctions
283
Appendix
К
Derivation of the line
dipole
approximation
284
Appendix
L
Direct configuration interaction-singles calculations
for the Pariser-Parr-Pople model
287
L.I Hartree-Fock Solutions
287
L.2 Direct Cl-singles method
288
Appendix
M
Density matrix renormalization group method
289
M.I Introduction to the real-space method
289
M.2 Local Hubert space truncation
293
References
294
Index
302
|
| any_adam_object | 1 |
| author | Barford, William |
| author_facet | Barford, William |
| author_role | aut |
| author_sort | Barford, William |
| author_variant | w b wb |
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| dewey-ones | 547 - Organic chemistry |
| dewey-raw | 547.70457 |
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| dewey-sort | 3547.70457 |
| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie Physik Chemie Elektrotechnik |
| edition | 2. ed. |
| format | Book |
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| id | DE-604.BV041079935 |
| illustrated | Not Illustrated |
| indexdate | 2024-07-10T00:39:07Z |
| institution | BVB |
| isbn | 9780199677467 |
| language | English |
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| physical | XIV, 305 S. |
| publishDate | 2013 |
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| publisher | Oxford University Pr. |
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| series | International series of monographs on physics |
| series2 | International series of monographs on physics |
| spelling | Barford, William Verfasser aut Electronic and optical properties of conjugated polymers William Barford 2. ed. Oxford Oxford University Pr. 2013 XIV, 305 S. txt rdacontent n rdamedia nc rdacarrier International series of monographs on physics 159 Konjugierte Polymere (DE-588)4236284-2 gnd rswk-swf Optische Eigenschaft (DE-588)4123887-4 gnd rswk-swf Elektrische Eigenschaft (DE-588)4193812-4 gnd rswk-swf Konjugierte Polymere (DE-588)4236284-2 s Elektrische Eigenschaft (DE-588)4193812-4 s Optische Eigenschaft (DE-588)4123887-4 s DE-604 International series of monographs on physics 159 (DE-604)BV000106406 159 Digitalisierung UB Bayreuth - ADAM Catalogue Enrichment application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=026056740&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Barford, William Electronic and optical properties of conjugated polymers International series of monographs on physics Konjugierte Polymere (DE-588)4236284-2 gnd Optische Eigenschaft (DE-588)4123887-4 gnd Elektrische Eigenschaft (DE-588)4193812-4 gnd |
| subject_GND | (DE-588)4236284-2 (DE-588)4123887-4 (DE-588)4193812-4 |
| title | Electronic and optical properties of conjugated polymers |
| title_auth | Electronic and optical properties of conjugated polymers |
| title_exact_search | Electronic and optical properties of conjugated polymers |
| title_full | Electronic and optical properties of conjugated polymers William Barford |
| title_fullStr | Electronic and optical properties of conjugated polymers William Barford |
| title_full_unstemmed | Electronic and optical properties of conjugated polymers William Barford |
| title_short | Electronic and optical properties of conjugated polymers |
| title_sort | electronic and optical properties of conjugated polymers |
| topic | Konjugierte Polymere (DE-588)4236284-2 gnd Optische Eigenschaft (DE-588)4123887-4 gnd Elektrische Eigenschaft (DE-588)4193812-4 gnd |
| topic_facet | Konjugierte Polymere Optische Eigenschaft Elektrische Eigenschaft |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=026056740&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
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