Computersimulations of electronic and structural properties of clusters:
Saved in:
| Main Author: | |
|---|---|
| Format: | Thesis Book |
| Language: | English |
| Published: |
München
Dr. Hut
2008
|
| Edition: | 1. Aufl. |
| Series: | Physik
|
| Subjects: | |
| Online Access: | Inhaltsverzeichnis |
| Physical Description: | 100 S. Ill., graph. Darst. 210 mm x 148 mm, 150 gr. |
| ISBN: | 9783899637694 |
Staff View
MARC
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Record in the Search Index
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| adam_text | CONTENTS 1 INTRODUCTION 1 2 SUBJECT MATTER AND CONTEXT S 3 DENSITY
FUNCLIONAL THEORY 13 3.1 BASICS 15 3.1.1 BORN-OPPENHEIMER APPROXIMATION
15 3.1.2 CLASSICAL NUCLEI AND HELLMANN-FEYNMAN THEOREM 16 3.1.3
HOHENBERG-KOHN THEOREM AND KOHN-SHAM EQUATIONS 18 3.1.4 APPROXIMATIONS
FOR THE EXCHANGE-CORRELATION FUNCTIONAL ... 22 3.1.5 PSEUDO POTENTIALS
25 3.1.6 BRILLOUIN ZONE SAMPLING AND FERMI BROADENING 29 3.2
CONSOLIDATING DATA 30 3.2.1 WANNIER FUNCTIONS 30 3.2.2 VIBRATIONAL
ANALYSIS 32 3.3 EXAMPLE APPLICATIONS 32 3.4 SUMMARY 35 4 RESULTS 37 4.1
GROUND STATE STRUCTURE OF SI* CLUSTERS 37 4.2 APPROACHING SILICON
CLUSTERS 43 GESCANNT DURCH BIBLIOGRAFISCHE INFORMATIONEN
HTTP://D-NB.INFO/989216683 DIGITALISIERT DURCH BIBLIOGRAPHY 88 4.2.1
APPROACHING SLT CLUSTERS 44 4.2.2 APPROACHING S17 CJUSTERS 48 4.3
TREATMENTOFTHE GRAPHITE SURFACE 59 4.3.1 CRYSTAL STRUCTURE 59 4.4 SINGLE
SILICON ATOM ABOVE THE SURFACE 63 4.5 CLUSTERS ABOVE THE SURFACE 66 5
SUMMARY AND CONCLUSIONS 73 6 OUTLOOK 77 A THE PSEUDO POTENTIALS USED 81
|
| adam_txt |
CONTENTS 1 INTRODUCTION 1 2 SUBJECT MATTER AND CONTEXT S 3 DENSITY
FUNCLIONAL THEORY 13 3.1 BASICS 15 3.1.1 BORN-OPPENHEIMER APPROXIMATION
15 3.1.2 CLASSICAL NUCLEI AND HELLMANN-FEYNMAN THEOREM 16 3.1.3
HOHENBERG-KOHN THEOREM AND KOHN-SHAM EQUATIONS 18 3.1.4 APPROXIMATIONS
FOR THE EXCHANGE-CORRELATION FUNCTIONAL . 22 3.1.5 PSEUDO POTENTIALS
25 3.1.6 BRILLOUIN ZONE SAMPLING AND FERMI BROADENING 29 3.2
CONSOLIDATING DATA 30 3.2.1 WANNIER FUNCTIONS 30 3.2.2 VIBRATIONAL
ANALYSIS 32 3.3 EXAMPLE APPLICATIONS 32 3.4 SUMMARY 35 4 RESULTS 37 4.1
GROUND STATE STRUCTURE OF SI* CLUSTERS 37 4.2 APPROACHING SILICON
CLUSTERS 43 GESCANNT DURCH BIBLIOGRAFISCHE INFORMATIONEN
HTTP://D-NB.INFO/989216683 DIGITALISIERT DURCH BIBLIOGRAPHY 88 4.2.1
APPROACHING SLT CLUSTERS 44 4.2.2 APPROACHING S17 CJUSTERS 48 4.3
TREATMENTOFTHE GRAPHITE SURFACE 59 4.3.1 CRYSTAL STRUCTURE 59 4.4 SINGLE
SILICON ATOM ABOVE THE SURFACE 63 4.5 CLUSTERS ABOVE THE SURFACE 66 5
SUMMARY AND CONCLUSIONS 73 6 OUTLOOK 77 A THE PSEUDO POTENTIALS USED 81 |
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| id | DE-604.BV023399670 |
| illustrated | Illustrated |
| index_date | 2024-07-02T21:23:13Z |
| indexdate | 2024-07-09T21:17:45Z |
| institution | BVB |
| isbn | 9783899637694 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-016582475 |
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| owner_facet | DE-12 DE-91 DE-BY-TUM DE-188 |
| physical | 100 S. Ill., graph. Darst. 210 mm x 148 mm, 150 gr. |
| publishDate | 2008 |
| publishDateSearch | 2008 |
| publishDateSort | 2008 |
| publisher | Dr. Hut |
| record_format | marc |
| series2 | Physik |
| spelling | Quester, Wolfram Verfasser aut Computersimulations of electronic and structural properties of clusters von Wolfram Quester 1. Aufl. München Dr. Hut 2008 100 S. Ill., graph. Darst. 210 mm x 148 mm, 150 gr. txt rdacontent n rdamedia nc rdacarrier Physik Zugl.: Konstanz, Univ., Diss., 2008 Dichtefunktionalformalismus (DE-588)4258514-4 gnd rswk-swf Cluster (DE-588)4010318-3 gnd rswk-swf Silicium (DE-588)4077445-4 gnd rswk-swf (DE-588)4113937-9 Hochschulschrift gnd-content Silicium (DE-588)4077445-4 s Cluster (DE-588)4010318-3 s Dichtefunktionalformalismus (DE-588)4258514-4 s DE-604 DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=016582475&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Quester, Wolfram Computersimulations of electronic and structural properties of clusters Dichtefunktionalformalismus (DE-588)4258514-4 gnd Cluster (DE-588)4010318-3 gnd Silicium (DE-588)4077445-4 gnd |
| subject_GND | (DE-588)4258514-4 (DE-588)4010318-3 (DE-588)4077445-4 (DE-588)4113937-9 |
| title | Computersimulations of electronic and structural properties of clusters |
| title_auth | Computersimulations of electronic and structural properties of clusters |
| title_exact_search | Computersimulations of electronic and structural properties of clusters |
| title_exact_search_txtP | Computersimulations of electronic and structural properties of clusters |
| title_full | Computersimulations of electronic and structural properties of clusters von Wolfram Quester |
| title_fullStr | Computersimulations of electronic and structural properties of clusters von Wolfram Quester |
| title_full_unstemmed | Computersimulations of electronic and structural properties of clusters von Wolfram Quester |
| title_short | Computersimulations of electronic and structural properties of clusters |
| title_sort | computersimulations of electronic and structural properties of clusters |
| topic | Dichtefunktionalformalismus (DE-588)4258514-4 gnd Cluster (DE-588)4010318-3 gnd Silicium (DE-588)4077445-4 gnd |
| topic_facet | Dichtefunktionalformalismus Cluster Silicium Hochschulschrift |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=016582475&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
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