Ab initio calculations of spin-wave excitation spectra from time-dependent density-functional theory:
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Abschlussarbeit Buch |
| Sprache: | English |
| Veröffentlicht: |
Jülich
Forschungszentrum Jülich, Zentralbibliothek
2012
|
| Schriftenreihe: | Schriften des Forschungszentrums Jülich
Reihe Schlüsseltechnologien ; Bd. 38 |
| Schlagworte: | |
| Online-Zugang: | Inhaltstext Inhaltsverzeichnis |
| Beschreibung: | 146 S. graph. Darst. 240 mm x 170 mm |
| ISBN: | 9783893367863 |
Internformat
MARC
| LEADER | 00000nam a2200000 cb4500 | ||
|---|---|---|---|
| 001 | BV040723950 | ||
| 003 | DE-604 | ||
| 007 | t | ||
| 008 | 130205s2012 gw d||| m||| 00||| eng d | ||
| 015 | |a 13,N05 |2 dnb | ||
| 016 | 7 | |a 1029942307 |2 DE-101 | |
| 020 | |a 9783893367863 |c Pb. : EUR 29.00 (DE), EUR 29.90 (AT), sfr 39.90 (freier Pr.) |9 978-3-89336-786-3 | ||
| 024 | 3 | |a 9783893367863 | |
| 035 | |a (OCoLC)1186288376 | ||
| 035 | |a (DE-599)DNB1029942307 | ||
| 040 | |a DE-604 |b ger |e rakddb | ||
| 041 | 0 | |a eng | |
| 044 | |a gw |c XA-DE-NW | ||
| 049 | |a DE-12 | ||
| 082 | 0 | |a 538.01 |2 22/ger | |
| 084 | |a 500 |2 sdnb | ||
| 100 | 1 | |a Niesert, Manfred |e Verfasser |0 (DE-588)1021089559 |4 aut | |
| 245 | 1 | 0 | |a Ab initio calculations of spin-wave excitation spectra from time-dependent density-functional theory |c Manfred Niesert |
| 264 | 1 | |a Jülich |b Forschungszentrum Jülich, Zentralbibliothek |c 2012 | |
| 300 | |a 146 S. |b graph. Darst. |c 240 mm x 170 mm | ||
| 336 | |b txt |2 rdacontent | ||
| 337 | |b n |2 rdamedia | ||
| 338 | |b nc |2 rdacarrier | ||
| 490 | 1 | |a Schriften des Forschungszentrums Jülich : Reihe Schlüsseltechnologien |v Bd. 38 | |
| 502 | |a Zugl.: Aachen, Techn. Hochsch., Diss., 2011 | ||
| 655 | 7 | |0 (DE-588)4113937-9 |a Hochschulschrift |2 gnd-content | |
| 830 | 0 | |a Schriften des Forschungszentrums Jülich |v Reihe Schlüsseltechnologien ; Bd. 38 |w (DE-604)BV023237997 |9 38 | |
| 856 | 4 | 2 | |m X:MVB |q text/html |u http://deposit.dnb.de/cgi-bin/dokserv?id=4236793&prov=M&dok_var=1&dok_ext=htm |3 Inhaltstext |
| 856 | 4 | 2 | |m DNB Datenaustausch |q application/pdf |u 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 |3 Inhaltsverzeichnis |
| 943 | 1 | |a oai:aleph.bib-bvb.de:BVB01-025704097 | |
Datensatz im Suchindex
| _version_ | 1809404189371006976 |
|---|---|
| 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 |
| any_adam_object | 1 |
| author | Niesert, Manfred |
| author_GND | (DE-588)1021089559 |
| author_facet | Niesert, Manfred |
| author_role | aut |
| author_sort | Niesert, Manfred |
| author_variant | m n mn |
| building | Verbundindex |
| bvnumber | BV040723950 |
| ctrlnum | (OCoLC)1186288376 (DE-599)DNB1029942307 |
| 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 |
| fullrecord | <?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>00000nam a2200000 cb4500</leader><controlfield tag="001">BV040723950</controlfield><controlfield tag="003">DE-604</controlfield><controlfield tag="007">t</controlfield><controlfield tag="008">130205s2012 gw d||| m||| 00||| eng d</controlfield><datafield tag="015" ind1=" " ind2=" "><subfield code="a">13,N05</subfield><subfield code="2">dnb</subfield></datafield><datafield tag="016" ind1="7" ind2=" "><subfield code="a">1029942307</subfield><subfield code="2">DE-101</subfield></datafield><datafield tag="020" ind1=" " ind2=" "><subfield code="a">9783893367863</subfield><subfield code="c">Pb. : EUR 29.00 (DE), EUR 29.90 (AT), sfr 39.90 (freier Pr.)</subfield><subfield code="9">978-3-89336-786-3</subfield></datafield><datafield tag="024" ind1="3" ind2=" "><subfield code="a">9783893367863</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(OCoLC)1186288376</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-599)DNB1029942307</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-604</subfield><subfield code="b">ger</subfield><subfield code="e">rakddb</subfield></datafield><datafield tag="041" ind1="0" ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="044" ind1=" " ind2=" "><subfield code="a">gw</subfield><subfield code="c">XA-DE-NW</subfield></datafield><datafield tag="049" ind1=" " ind2=" "><subfield code="a">DE-12</subfield></datafield><datafield tag="082" ind1="0" ind2=" "><subfield code="a">538.01</subfield><subfield code="2">22/ger</subfield></datafield><datafield tag="084" ind1=" " ind2=" "><subfield code="a">500</subfield><subfield code="2">sdnb</subfield></datafield><datafield tag="100" ind1="1" ind2=" "><subfield code="a">Niesert, Manfred</subfield><subfield code="e">Verfasser</subfield><subfield code="0">(DE-588)1021089559</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Ab initio calculations of spin-wave excitation spectra from time-dependent density-functional theory</subfield><subfield code="c">Manfred Niesert</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="a">Jülich</subfield><subfield code="b">Forschungszentrum Jülich, Zentralbibliothek</subfield><subfield code="c">2012</subfield></datafield><datafield tag="300" ind1=" " ind2=" "><subfield code="a">146 S.</subfield><subfield code="b">graph. Darst.</subfield><subfield code="c">240 mm x 170 mm</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="b">txt</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="b">n</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="b">nc</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="490" ind1="1" ind2=" "><subfield code="a">Schriften des Forschungszentrums Jülich : Reihe Schlüsseltechnologien</subfield><subfield code="v">Bd. 38</subfield></datafield><datafield tag="502" ind1=" " ind2=" "><subfield code="a">Zugl.: Aachen, Techn. Hochsch., Diss., 2011</subfield></datafield><datafield tag="655" ind1=" " ind2="7"><subfield code="0">(DE-588)4113937-9</subfield><subfield code="a">Hochschulschrift</subfield><subfield code="2">gnd-content</subfield></datafield><datafield tag="830" ind1=" " ind2="0"><subfield code="a">Schriften des Forschungszentrums Jülich</subfield><subfield code="v">Reihe Schlüsseltechnologien ; Bd. 38</subfield><subfield code="w">(DE-604)BV023237997</subfield><subfield code="9">38</subfield></datafield><datafield tag="856" ind1="4" ind2="2"><subfield code="m">X:MVB</subfield><subfield code="q">text/html</subfield><subfield code="u">http://deposit.dnb.de/cgi-bin/dokserv?id=4236793&prov=M&dok_var=1&dok_ext=htm</subfield><subfield code="3">Inhaltstext</subfield></datafield><datafield tag="856" ind1="4" ind2="2"><subfield code="m">DNB Datenaustausch</subfield><subfield code="q">application/pdf</subfield><subfield code="u">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</subfield><subfield code="3">Inhaltsverzeichnis</subfield></datafield><datafield tag="943" ind1="1" ind2=" "><subfield code="a">oai:aleph.bib-bvb.de:BVB01-025704097</subfield></datafield></record></collection> |
| genre | (DE-588)4113937-9 Hochschulschrift gnd-content |
| genre_facet | Hochschulschrift |
| id | DE-604.BV040723950 |
| illustrated | Illustrated |
| indexdate | 2024-09-06T00:25:02Z |
| institution | BVB |
| isbn | 9783893367863 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-025704097 |
| oclc_num | 1186288376 |
| open_access_boolean | |
| owner | DE-12 |
| owner_facet | DE-12 |
| physical | 146 S. graph. Darst. 240 mm x 170 mm |
| publishDate | 2012 |
| publishDateSearch | 2012 |
| publishDateSort | 2012 |
| publisher | Forschungszentrum Jülich, Zentralbibliothek |
| record_format | marc |
| series | Schriften des Forschungszentrums Jülich |
| 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 |
| url | http://deposit.dnb.de/cgi-bin/dokserv?id=4236793&prov=M&dok_var=1&dok_ext=htm 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 |
| volume_link | (DE-604)BV023237997 |
| work_keys_str_mv | AT niesertmanfred abinitiocalculationsofspinwaveexcitationspectrafromtimedependentdensityfunctionaltheory |