Ab initio calculations of spin-wave excitation spectra from time-dependent density-functional theory:
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| Main Author: | |
|---|---|
| Format: | Thesis Book |
| Language: | English |
| Published: |
Jülich
Forschungszentrum Jülich, Zentralbibliothek
2012
|
| Series: | Schriften des Forschungszentrums Jülich
Reihe Schlüsseltechnologien ; Bd. 38 |
| Subjects: | |
| Online Access: | Inhaltstext Inhaltsverzeichnis |
| Physical Description: | 146 S. graph. Darst. 240 mm x 170 mm |
| ISBN: | 9783893367863 |
Staff View
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| 245 | 1 | 0 | |a Ab initio calculations of spin-wave excitation spectra from time-dependent density-functional theory |c Manfred Niesert |
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Record in the Search Index
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| adam_text |
IMAGE 1
C O N T E N T S
1 INTRODUCTION 1
2 DENSITY-FUNCTIONAL THEORY 5
2.1 THE MANY-BODY PROBLEM 5
2.2 DENSITY-FUNCTIONAL FUNDAMENTALS 9
2.3 THE KOHN-SHAM FORMALISM 10
2.4 PERFORMANCE O F DFT 16
2.5 TIME-DEPENDENT DFT 19
3 THE SPIN R E S P O N S E 2 3
3.1 MAGNETISM IN SOLIDS AND SPIN WAVES 24
3.2 THE CORRELATION FUNCTION 2 8
3.3 THE RESPONSE IN TIME-DEPENDENT DFT 37
3.4 THE BIGGER CONTEXT 4 0
4 THE SPIN-POLARIZED H O M O G E N E O U S ELECTRON G A S 4 7
4.1 CHARACTERISTIC QUANTITIES 4 8
4.2 THE KOHN-SHAM RESPONSE 53
4.3 THE EXCHANGE-CORRELATION KERNEL IN ALDA 57
4.4 SPIN WAVES FROM ALDA 60
4.5 THE CORRELATION CONTRIBUTION 66
4.6 DIFFERENCES AND CONCLUSIONS FOR REAL MATERIALS 69
5 IMPLEMENTATION 7 3
5.1 REFORMULATION FOR LATTICE-PERIODIC SYSTEMS 74
5.2 DFT AND THE FLAPW METHOD 75
5.3 ALDA AND THE MIXED PRODUCT BASIS 86
6 R E S U L T S FOR REAL MATERIALS 9 5
6.1 GENERAL REMARKS 95
6.2 TESTS O F THE METHOD 99
6.3 IRON 103
6.4 NICKEL 108
6.5 COBALT 113
6.6 COMPARISON TO ADIABATIC APPROXIMATION 118
7 C O N C L U S I O N S 1 2 3
HTTP://D-NB.INFO/1029942307
IMAGE 2
A NOTATION
B DERIVATIONS
BIBLIOGRAPHY |
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| author | Niesert, Manfred |
| author_GND | (DE-588)1021089559 |
| author_facet | Niesert, Manfred |
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| dewey-full | 538.01 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 538 - Magnetism |
| dewey-raw | 538.01 |
| dewey-search | 538.01 |
| dewey-sort | 3538.01 |
| dewey-tens | 530 - Physics |
| discipline | Physik Allgemeine Naturwissenschaft |
| format | Thesis Book |
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| indexdate | 2024-09-06T00:25:02Z |
| institution | BVB |
| isbn | 9783893367863 |
| language | English |
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| physical | 146 S. graph. Darst. 240 mm x 170 mm |
| publishDate | 2012 |
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| series2 | Schriften des Forschungszentrums Jülich : Reihe Schlüsseltechnologien |
| spelling | Niesert, Manfred Verfasser (DE-588)1021089559 aut Ab initio calculations of spin-wave excitation spectra from time-dependent density-functional theory Manfred Niesert Jülich Forschungszentrum Jülich, Zentralbibliothek 2012 146 S. graph. Darst. 240 mm x 170 mm txt rdacontent n rdamedia nc rdacarrier Schriften des Forschungszentrums Jülich : Reihe Schlüsseltechnologien Bd. 38 Zugl.: Aachen, Techn. Hochsch., Diss., 2011 (DE-588)4113937-9 Hochschulschrift gnd-content Schriften des Forschungszentrums Jülich Reihe Schlüsseltechnologien ; Bd. 38 (DE-604)BV023237997 38 X:MVB text/html http://deposit.dnb.de/cgi-bin/dokserv?id=4236793&prov=M&dok_var=1&dok_ext=htm Inhaltstext DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=025704097&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Niesert, Manfred Ab initio calculations of spin-wave excitation spectra from time-dependent density-functional theory Schriften des Forschungszentrums Jülich |
| subject_GND | (DE-588)4113937-9 |
| title | Ab initio calculations of spin-wave excitation spectra from time-dependent density-functional theory |
| title_auth | Ab initio calculations of spin-wave excitation spectra from time-dependent density-functional theory |
| title_exact_search | Ab initio calculations of spin-wave excitation spectra from time-dependent density-functional theory |
| title_full | Ab initio calculations of spin-wave excitation spectra from time-dependent density-functional theory Manfred Niesert |
| title_fullStr | Ab initio calculations of spin-wave excitation spectra from time-dependent density-functional theory Manfred Niesert |
| title_full_unstemmed | Ab initio calculations of spin-wave excitation spectra from time-dependent density-functional theory Manfred Niesert |
| title_short | Ab initio calculations of spin-wave excitation spectra from time-dependent density-functional theory |
| title_sort | ab initio calculations of spin wave excitation spectra from time dependent density functional theory |
| topic_facet | Hochschulschrift |
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