Modeling of ultrafast electron transfer processes: multi-level Redfield theory and beyond
Gespeichert in:
| 1. Verfasser: | |
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| Format: | Buch |
| Sprache: | English |
| Veröffentlicht: |
2003
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| Schlagworte: | |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | München, Techn. Univ., Diss., 2003 |
| Beschreibung: | 84 S. Ill., graph. Darst. : 30 cm |
Internformat
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Datensatz im Suchindex
| _version_ | 1816445123455614976 |
|---|---|
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CONTENTS
1 INTRODUCTION 7
2 REDFIELD THEORY FOR OPEN QUANTUM SYSTEMS 13
2.1 REDUCED DENSITY-MATRIX FORMALISM. 13
2.2 REDFIELD EQUATION . 15
2.3 HARMONIC BATH AND ITS CORRELATION FUNCTIONS. 18
2.4 APPROXIMATIONS TO REDFIELD THEORY. 20
2.4.1 STATIONARY REDFIELD TENSOR. 21
2.4.2 SECULAR APPROXIMATION. 23
2.5 LIMITATIONS OF REDFIELD THEORY . 26
3 MODELING OF ULTRAFAST ELECTRON TRANSFER: THEORETICAL CONCEPTS 28
3.1 MODEL HAMILTONIAN . 29
3.2 ROTATING-WAVE APPROXIMATION. 31
3.3 DIABATIC DAMPING MODEL . 32
3.4 GOLDEN RULE. 34
4 MULTI-LEVEL REDFIELD THEORY FOR ULTRAFAST ELECTRON TRANSFER 36
4.1 GOLDEN-RULE PREDICTIONS VS. REDFIELD-THEORY SIMULATIONS. 37
4.2 ULTRAFAST ET DRIVEN BY WAVE-PACKET MOTION IN THE EXCITED-STATE. 40
4.2.1 NORMAL REGION. 40
4.2.2 INVERTED REGION. 43
4.3 PERFORMANCE OF THE SECULAR APPROXIMATION. 45
4.4 PERFORMANCE OF THE ROTATING-WAVE APPROXIMATION AND THE
DIABATIC-DAMPING
MODEL. 49
4.5 WAVE-PACKET MOTION IN THE GROUND ELECTRONIC STATE. 51
4.5.1 NON-STATIONARY PREPARATION. 52
BIBLIOGRAFISCHE INFORMATIONEN
HTTP://D-NB.INFO/967615801
6
4.5.2 STATIONARY PREPARATION. 54
5 INVESTIGATION OF THE VALIDITY OF REDFIELD THEORY FOR THE MODELING OF
UL
TRAFAST ELECTRON TRANSFER 58
5.1 SELF-CONSISTENT HYBRID APPROACH. 59
5.2 NORMAL REGION. 60
5.2.1 SYMMETRIC CASE. 60
5.2.2 ASYMMETRIC CASE, NONSTATIONARY PREPARATION. 64
5.2.3 ASYMMETRIC CASE, STATIONARY PREPARATION. 66
5.3 INVERTED REGION. 68
6 CONCLUSIONS 73
A REPRESENTATIONS OF THE REDUCED DENSITY MATRIX 77
B NUMERICAL ASPECTS OF REDFIELD-EQUATION SOLUTION 78
C MARCUS CLASSIFICATION OF THE ET REGIONS 79
REFERENCES
80 |
| any_adam_object | 1 |
| author | Egorova, Dassia 1976- |
| author_GND | (DE-588)124517390 |
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| building | Verbundindex |
| bvnumber | BV017262071 |
| classification_tum | CHE 164d |
| ctrlnum | (OCoLC)643238161 (DE-599)BVBBV017262071 |
| discipline | Physik Chemie |
| format | Book |
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| id | DE-604.BV017262071 |
| illustrated | Illustrated |
| indexdate | 2024-11-22T17:37:40Z |
| institution | BVB |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-010403678 |
| oclc_num | 643238161 |
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| owner | DE-12 DE-91 DE-BY-TUM |
| owner_facet | DE-12 DE-91 DE-BY-TUM |
| physical | 84 S. Ill., graph. Darst. : 30 cm |
| publishDate | 2003 |
| publishDateSearch | 2003 |
| publishDateSort | 2003 |
| record_format | marc |
| spelling | Egorova, Dassia 1976- Verfasser (DE-588)124517390 aut Modeling of ultrafast electron transfer processes multi-level Redfield theory and beyond Dassia Egorova 2003 84 S. Ill., graph. Darst. : 30 cm txt rdacontent n rdamedia nc rdacarrier München, Techn. Univ., Diss., 2003 Dichtematrix (DE-588)4149624-3 gnd rswk-swf Elektronentransfer (DE-588)4151907-3 gnd rswk-swf (DE-588)4113937-9 Hochschulschrift gnd-content Elektronentransfer (DE-588)4151907-3 s Dichtematrix (DE-588)4149624-3 s DE-604 DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=010403678&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Egorova, Dassia 1976- Modeling of ultrafast electron transfer processes multi-level Redfield theory and beyond Dichtematrix (DE-588)4149624-3 gnd Elektronentransfer (DE-588)4151907-3 gnd |
| subject_GND | (DE-588)4149624-3 (DE-588)4151907-3 (DE-588)4113937-9 |
| title | Modeling of ultrafast electron transfer processes multi-level Redfield theory and beyond |
| title_auth | Modeling of ultrafast electron transfer processes multi-level Redfield theory and beyond |
| title_exact_search | Modeling of ultrafast electron transfer processes multi-level Redfield theory and beyond |
| title_full | Modeling of ultrafast electron transfer processes multi-level Redfield theory and beyond Dassia Egorova |
| title_fullStr | Modeling of ultrafast electron transfer processes multi-level Redfield theory and beyond Dassia Egorova |
| title_full_unstemmed | Modeling of ultrafast electron transfer processes multi-level Redfield theory and beyond Dassia Egorova |
| title_short | Modeling of ultrafast electron transfer processes |
| title_sort | modeling of ultrafast electron transfer processes multi level redfield theory and beyond |
| title_sub | multi-level Redfield theory and beyond |
| topic | Dichtematrix (DE-588)4149624-3 gnd Elektronentransfer (DE-588)4151907-3 gnd |
| topic_facet | Dichtematrix Elektronentransfer Hochschulschrift |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=010403678&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
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