Strong electronic correlations in low-dimensional systems:
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Abschlussarbeit Buch |
| Sprache: | English |
| Veröffentlicht: |
Aachen
Shaker
2011
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| Schriftenreihe: | Simulation sciences series
Vol. 1 |
| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | VI, 246 S. Ill., graph. Darst. 24 cm, 378 g |
| ISBN: | 9783832299156 |
Internformat
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Datensatz im Suchindex
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| adam_text | IMAGE 1
CONTENTS
INTRODUCTION 1
1 ELECTROSTATIC SCREENING IN DIELECTRICS 5
1.1 INTRODUCTION 6
1.1.1 MICROSCOPIC POINT-DIPOLE MODEL 8
1.1.2 VECTOR-SPACE NOTATION 9
1.1.3 OBTAINING THE SCREENING ENERGY FOR COULOMB PARAMETERS 10 1.1.4
FERROELECTRIC CATASTROPHE AND RECIPROCAL SPACE 11
1.2 SCREENING IN A ONE-DIMENSIONAL CHAIN 15
1.2.1 CONFINEMENT TO ONE DIMENSION 15
1.2.2 ANALYTICAL SOLUTION 16
1.2.3 SCREENING PECULIARITIES 18
1.2.4 COMPARISON TO CLUSTER CALCULATIONS USING THE REAL-SPACE MPDM CODE
. 29 1.3 SCREENING IN A TWO-DIMENSIONAL SQUARE LATTICE 32
1.3.1 CONFINEMENT TO TWO DIMENSIONS 32
1.3.2 NUMERICAL SOLUTION 33
1.3.3 MICROSCOPIC FIELD AND AVERAGING 41
1.4 SCREENING IN A THREE-DIMENSIONAL SIMPLE CUBIC LATTICE 42
1.4.1 CLAUSIUS-MOSSOTTI RELATION FROM THE MICROSCOPIC PERSPECTIVE 42
1.4.2 NUMERICAL SOLUTION FOR MODERATE POLARIZABILITY IN REAL SPACE 45
1.4.3 NUMERICAL SOLUTION IN RECIPROCAL SPACE 51
1.5 SUMMARY 53
BIBLIOGRAFISCHE INFORMATIONEN HTTP://D-NB.INFO/1011955393
DIGITALISIERT DURCH
IMAGE 2
IV CONTENTS
ORGANICS 57
2.1 ELECTRONIC STRUCTURE THEORY 59
2.1.1 DENSITY-FUNCTIONAL THEORY 59
2.1.2 DENSITY-FUNCTIONAL PRACTICE WITH FHI-AIMS 62
2.1.3 HUBBARD MODEL 68
2.2 ORGANICS 70
2.2.1 BUILDING BLOCKS - ORGANIC MOLECULES 70
2.2.2 MOLECULAR CRYSTALS 71
2.3 EVALUATION OF MODEL PARAMETERS 76
2.3.1 HOPPING PARAMETERS 76
2.3.2 COULOMB PARAMETERS 82
2.4 APPLICATION TO TTF-TCNQ 89
2.4.1 THE CRYSTAL 90
2.4.2 MODEL PARAMETERS 92
2.4.3 REALISTIC DESCRIPTION 103
2.5 APPLICATION TO (BEDT-TTF) 2 I 3 108
2.5.1 THE CRYSTAL 108
2.5.2 MODEL PARAMETERS 115
2.6 SUMMARY 123
DYNAMICAL LATTICE SUSCEPTIBILITIES FROM DMFT 125
3.1 DYNAMICAL CORRELATION AND GREEN S FUNCTIONS 126
3.1.1 CONCEPTS FOR A MICROSCOPIC DESCRIPTION 126
3.1.2 MICROSCOPIC RESPONSE THEORY 128
3.1.3 RC-BODY GREEN S FUNCTION 130
3.1.4 SINGLE-PARTICLE GREEN S FUNCTION 131
3.1.5 TWO-PARTICLE GREEN S FUNCTION 131
3.1.6 ANALYTICAL STRUCTURE AND PROPERTIES OF CORRELATION FUNCTIONS 133
3.1.7 (NON-)INTERACTING GREEN S FUNCTIONS AND SELF-ENERGY 139
3.1.8 FROM GREEN S TO DYNAMICAL CORRELATIONS FUNCTIONS 140
3.1.9 ANALYTIC CONTINUATION AND PADE APPROXIMANTS 146
3.2 D M FT 155
3.2.1 DERIVATION 155
3.2.2 SELF-CONSISTENCY LOOP IN THE HAMILTONIAN FORMALISM 157
3.2.3 EXACT DIAGONALIZATION AS IMPURITY SOLVER 160
3.2.4 EXACT DMFT LIMITS 166
IMAGE 3
3.2.5 MODELS 167
3.3 D M FT DYNAMICAL SUSCEPTIBILITIES AND VERTEX FUNCTIONS 178
3.3.1 GENERAL FORMALISM AND DMFT APPROXIMATION 178
3.3.2 EXPLICIT DERIVATION IN THE ED FRAMEWORK 182
3.3.3 PROPERTIES OF THE TWO-PARTICLE GREEN S FUNCTION AND THE VERTEX . .
.. 189 3.3.4 OVERVIEW OF THE ACTUAL CALCULATION & TESTS 192
3.4 APPLICATION TO THE 3-DIMENSIONAL PERIODIC ANDERSON MODEL 199 3.5
SUMMARY 206
SUMMARY 207
A EWALD METHOD 211
A.I GENERALIZED DERIVATION OF THE EWALD SUMMATION 211
A.2 EWALD SUMMATION FOR THE DIPOLE MATRIX 214
A.3 RESULTS FOR BODY- AND FACE-CENTERED CUBIC LATTICES 215
B EULER ANGLES 217
B.I GENERAL INTRODUCTION 217
B.2 EXTRACTING EULER ANGLES 219
C FHI-AIMS: BASIS SETS 221
D ATOMIC UNITS 223
E MASSIVELY PARALLEL LANCZOS SOLVER 225
F FOURIER TRANSFORMS & FRIENDS 229
F.I INFINITE CONTINUOUS FOURIER TRANSFORM 229
F.2 INFINITE DISCRETE FOURIER TRANSFORM 230
F.3 RELATIONSHIP BETWEEN CONTINUOUS AND DISCRETE FOURIER TRANSFORMS .230
F.4 CONVOLUTION THEOREM AND AUTOCORRELATION FUNCTION 231 F.4.1 SIMILAR
RELATIONS USED IN CONDENSED MATTER PHYSICS 231
G INVERSION BY PARTITIONING 233
BIBLIOGRAPHY 235
ACKNOWLEDGEMENTS 245
|
| any_adam_object | 1 |
| author | Dolfen, Andreas |
| author_GND | (DE-588)14249061X |
| author_facet | Dolfen, Andreas |
| author_role | aut |
| author_sort | Dolfen, Andreas |
| author_variant | a d ad |
| building | Verbundindex |
| bvnumber | BV039867097 |
| ctrlnum | (OCoLC)780108973 (DE-599)DNB1011955393 |
| dewey-full | 530.41101 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 530 - Physics |
| dewey-raw | 530.41101 |
| dewey-search | 530.41101 |
| dewey-sort | 3530.41101 |
| dewey-tens | 530 - Physics |
| discipline | Physik |
| format | Thesis Book |
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| spelling | Dolfen, Andreas Verfasser (DE-588)14249061X aut Strong electronic correlations in low-dimensional systems Andreas Dolfen Aachen Shaker 2011 VI, 246 S. Ill., graph. Darst. 24 cm, 378 g txt rdacontent n rdamedia nc rdacarrier Simulation sciences series Vol. 1 Zugl.: Aachen, Techn. Univ., Diss., 2010 Elektronenkorrelation (DE-588)4210527-4 gnd rswk-swf Hubbard-Modell (DE-588)4160713-2 gnd rswk-swf Niederdimensionales System (DE-588)4202325-7 gnd rswk-swf Organischer Kristall (DE-588)4172782-4 gnd rswk-swf Dichtefunktionalformalismus (DE-588)4258514-4 gnd rswk-swf Starke Kopplung (DE-588)4382353-1 gnd rswk-swf Periodisches Anderson-Modell (DE-588)4363300-6 gnd rswk-swf (DE-588)4113937-9 Hochschulschrift gnd-content Elektronenkorrelation (DE-588)4210527-4 s Starke Kopplung (DE-588)4382353-1 s Niederdimensionales System (DE-588)4202325-7 s Organischer Kristall (DE-588)4172782-4 s Hubbard-Modell (DE-588)4160713-2 s Dichtefunktionalformalismus (DE-588)4258514-4 s Periodisches Anderson-Modell (DE-588)4363300-6 s DE-604 Simulation sciences series Vol. 1 (DE-604)BV039867090 1 DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=024726517&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Dolfen, Andreas Strong electronic correlations in low-dimensional systems Simulation sciences series Elektronenkorrelation (DE-588)4210527-4 gnd Hubbard-Modell (DE-588)4160713-2 gnd Niederdimensionales System (DE-588)4202325-7 gnd Organischer Kristall (DE-588)4172782-4 gnd Dichtefunktionalformalismus (DE-588)4258514-4 gnd Starke Kopplung (DE-588)4382353-1 gnd Periodisches Anderson-Modell (DE-588)4363300-6 gnd |
| subject_GND | (DE-588)4210527-4 (DE-588)4160713-2 (DE-588)4202325-7 (DE-588)4172782-4 (DE-588)4258514-4 (DE-588)4382353-1 (DE-588)4363300-6 (DE-588)4113937-9 |
| title | Strong electronic correlations in low-dimensional systems |
| title_auth | Strong electronic correlations in low-dimensional systems |
| title_exact_search | Strong electronic correlations in low-dimensional systems |
| title_full | Strong electronic correlations in low-dimensional systems Andreas Dolfen |
| title_fullStr | Strong electronic correlations in low-dimensional systems Andreas Dolfen |
| title_full_unstemmed | Strong electronic correlations in low-dimensional systems Andreas Dolfen |
| title_short | Strong electronic correlations in low-dimensional systems |
| title_sort | strong electronic correlations in low dimensional systems |
| topic | Elektronenkorrelation (DE-588)4210527-4 gnd Hubbard-Modell (DE-588)4160713-2 gnd Niederdimensionales System (DE-588)4202325-7 gnd Organischer Kristall (DE-588)4172782-4 gnd Dichtefunktionalformalismus (DE-588)4258514-4 gnd Starke Kopplung (DE-588)4382353-1 gnd Periodisches Anderson-Modell (DE-588)4363300-6 gnd |
| topic_facet | Elektronenkorrelation Hubbard-Modell Niederdimensionales System Organischer Kristall Dichtefunktionalformalismus Starke Kopplung Periodisches Anderson-Modell Hochschulschrift |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=024726517&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| volume_link | (DE-604)BV039867090 |
| work_keys_str_mv | AT dolfenandreas strongelectroniccorrelationsinlowdimensionalsystems |