1 Introduction |
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1 | (6) |
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5 | (2) |
2 Line Groups Structure |
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7 | (22) |
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2.1 Factorization of the Line Groups |
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7 | (10) |
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2.1.1 Generalized Translations: Symmetry of Arrangements |
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8 | (1) |
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2.1.2 Axial Point Groups: Intrinsic Monomer Symmetry |
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9 | (2) |
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2.1.3 Compatible Intrinsic and Arrangement Symmetries |
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11 | (3) |
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2.1.4 Monomer, Elementary Cell, Symcell |
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14 | (1) |
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14 | (1) |
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2.1.6 Spatial Inversion and Chirality |
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15 | (2) |
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2.2 First Family Line Groups |
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17 | (8) |
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2.2.1 Helix Generated by the Helical Group |
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17 | (2) |
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2.2.2 Different Factorizations and Conventions |
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19 | (1) |
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20 | (3) |
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2.2.4 Isomorphisms and Physical Equivalence |
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23 | (1) |
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24 | (1) |
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25 | (2) |
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25 | (1) |
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2.3.2 First Family Subgroup |
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26 | (1) |
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2.3.3 Subgroups Preserving z-Axis |
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26 | (1) |
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2.3.4 International Notation |
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27 | (1) |
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27 | (2) |
3 Symmetrical Compounds |
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29 | (18) |
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3.1 Orbits of the Line Groups |
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29 | (7) |
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3.1.1 Orbit, Stabilizer, and Transversal |
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29 | (1) |
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3.1.2 Construction of the Orbit Types of the Line Groups |
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30 | (1) |
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3.1.3 Monomers and Orbit Orders |
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31 | (1) |
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32 | (4) |
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3.2 Conformation Classes and Their Symmetry |
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36 | (5) |
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41 | (1) |
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42 | (1) |
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3.5 Application: Line Group Notation for Monoperiodic Crystals |
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43 | (3) |
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46 | (1) |
4 Irreducible Representations |
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47 | (18) |
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47 | (6) |
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4.1.1 Helical Quantum Numbers |
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48 | (1) |
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4.1.2 Commensurate Groups and Linear Quantum Numbers |
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48 | (1) |
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49 | (1) |
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4.1.4 Brillouin Zones and Bands |
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50 | (1) |
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51 | (1) |
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52 | (1) |
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53 | (2) |
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4.3 Properties of the Representations |
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55 | (9) |
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4.3.1 Reduced Brillouin Zones and Bands |
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59 | (2) |
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4.3.2 Symmetry-Adapted Basis |
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61 | (1) |
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4.3.3 Dimensions and Compatibility Relations |
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62 | (1) |
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4.3.4 Reality of Representations |
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63 | (1) |
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64 | (1) |
5 Tensors |
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65 | (20) |
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65 | (1) |
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5.2 Functions: Invariants and Covariants |
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66 | (9) |
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66 | (5) |
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71 | (4) |
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75 | (2) |
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77 | (5) |
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5.5 Application: Clebsch-Gordan Coefficients and Selection Rules |
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82 | (2) |
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84 | (1) |
6 Magnetic Line Groups |
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85 | (10) |
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85 | (5) |
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85 | (1) |
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86 | (1) |
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6.1.3 Results and Notation |
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87 | (3) |
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90 | (2) |
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6.2.1 Irreducible Co-representations |
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91 | (1) |
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6.2.2 Gray Groups and Reality of Representations |
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91 | (1) |
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6.2.3 Real or Physical Representations |
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92 | (1) |
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6.3 Application: Spin Ordering |
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92 | (1) |
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93 | (2) |
7 Vibrational Analysis |
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95 | (18) |
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7.1 Dynamical Representation |
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95 | (14) |
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109 | (1) |
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7.3 Example: Polyacetylene |
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110 | (1) |
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111 | (2) |
8 Applications |
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113 | (30) |
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8.1 Energy Bands and Bloch Functions |
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113 | (5) |
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8.1.1 Eigenproblem and Bands |
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113 | (2) |
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115 | (3) |
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8.2 Symmetry Breaking and Epikernels |
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118 | (4) |
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8.2.1 Epikernels of the First Family Groups |
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119 | (1) |
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8.2.2 Equitranslational Epikernels |
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119 | (3) |
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8.3 Optical and Vibrational Activity |
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122 | (7) |
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8.3.1 Optical Transitions |
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122 | (2) |
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8.3.2 Infrared Active Modes |
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124 | (1) |
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125 | (1) |
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8.3.4 Vibronic Activity: JahnTeller Theorem |
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126 | (3) |
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129 | (8) |
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8.4.1 Symmetry and Orbit Amplitudes |
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129 | (1) |
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8.4.2 Geometrical Factors of the Line Group Orbits |
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130 | (1) |
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8.4.3 Characteristics of the Diffraction Patterns |
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131 | (6) |
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8.4.4 Applications to the Multiorbit Systems |
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137 | (1) |
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8.5 Numerical Implementations of the Line Groups |
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137 | (4) |
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8.5.1 Tight-Binding Methods |
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138 | (2) |
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8.5.2 Density Functional Relaxation |
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140 | (1) |
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141 | (2) |
9 Nanotubes |
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143 | (28) |
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9.1 Symmetry of Nanotubes |
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143 | (7) |
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9.1.1 Folded Translations: The First Family Subgroup |
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145 | (1) |
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146 | (1) |
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9.1.3 Additional Symmetries |
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147 | (2) |
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9.1.4 Symmetry-Based Common Characteristics of Nanotubes |
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149 | (1) |
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150 | (18) |
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9.2.1 Single-Wall Nanotubes |
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151 | (14) |
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9.2.2 Double- and Multi-Wall Nanotubes |
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165 | (3) |
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168 | (3) |
A KosterSeitz Notation |
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171 | (2) |
B Rod Groups |
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173 | (2) |
C Elements of the Number Theory |
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175 | (4) |
D Construction of the Representations |
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179 | (4) |
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D.1 Irreducible Representations |
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179 | (2) |
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179 | (1) |
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179 | (1) |
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D.1.3 Induction from a Halving Subgroup |
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180 | (1) |
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D.2 Co-representations of the Magnetic Groups |
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181 | (2) |
E Generalizations of the Line Groups |
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183 | (4) |
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E.1 Continual Line Groups |
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184 | (1) |
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E.2 Bihelical Line Groups |
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184 | (3) |
F Modified Group Projector Technique |
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187 | (4) |
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190 | (1) |
Index |
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191 | |