Single-site green function of the dirac equation for full-potential electron scattering:
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Buch |
| Sprache: | English |
| Veröffentlicht: |
Jülich
Forschungszentrum Jülich
2012
|
| Schriftenreihe: | Schriften des Forschungszentrums Jülich
Reihe Schlüsseltechnologien ; Bd. 34 |
| Online-Zugang: | Inhaltsverzeichnis |
| Beschreibung: | 138 S. 240 mm x 170 mm |
| ISBN: | 9783893367603 |
Internformat
MARC
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| 100 | 1 | |a Kordt, Pascal |e Verfasser |4 aut | |
| 245 | 1 | 0 | |a Single-site green function of the dirac equation for full-potential electron scattering |c Pascal Kordt |
| 264 | 1 | |a Jülich |b Forschungszentrum Jülich |c 2012 | |
| 300 | |a 138 S. |c 240 mm x 170 mm | ||
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| 490 | 1 | |a Schriften des Forschungszentrums Jülich : Reihe Schlüsseltechnologien |v Bd. 34 | |
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Datensatz im Suchindex
| _version_ | 1804149044457504768 |
|---|---|
| adam_text | IMAGE 1
C O N T E N T S
1 I N T R O D U C T I O N 1
1 ELECTRONIC S T R U C T U R E CALCULATIONS 7
2 D E N S I T Y F U N C T I O N A L T H E O R Y 8
2.1 Q U A N T U M MECHANICAL DESCRIPTION OF A SOLID 8
2.2 BORN-OPPENHEIMER APPROXIMATION 9
2.3 HOHENBERG-KOHN THEOREM 10
2.4 KOHN-SHAM EQUATIONS 10
2.5 RELATIVISTIC SPIN-CURRENT DENSITY FUNCTIONAL THEORY 11
2.6 RELATIVISTIC SPIN DENSITY FUNCTIONAL THEORY 12
2.7 EXCHANGE-CORRELATION ENERGY FUNCTIONALS 14
3 K O R R I N G A - K O H N - R O S T O K E R G R E E N F U N C T I O N
M E T H O D 1 5
3.1 OVERVIEW A N D HISTORICAL DEVELOPMENT 15
3.2 INTRODUCTION T O GREEN FUNCTION THEORY 16
3.3 GREEN FUNCTION A N D ELECTRON DENSITY 17
3.4 MULTIPLE SCATTERING 18
3.5 FULL POTENTIAL 20
3.6 K K R G F ALGORITHM 21
II N O N - R E L A T I V I S T I C S I N G L E - S I T E S C A T T E R I
N G 2 3
4 F R E E P A R T I C L E G R E E N F U N C T I O N 2 4
4.1 DERIVATION 24
4.2 ANGULAR MOMENTUM EXPANSION 27
5 P A R T I C L E I N A P O T E N T I A L : L I P P M A N N - S C H W I
N G E R E Q U A T I O N 3 3
5.1 DERIVATION 33
5.2 ANGULAR MOMENTUM EXPANSION 34
5.3 COUPLED RADIAL EQUATIONS 35
HTTP://D-NB.INFO/1021412856
IMAGE 2
5.4 T MATRIX 38
5.5 RADIAL EQUATIONS IN P D E FORMULATION 39
5.6 OPERATOR NOTATION A N D INTEGRAL EQUATIONS FOR T H E GREEN FUNCTION
. . . 41
5.7 FREDHOLM A N D VOLTERRA INTEGRAL EQUATIONS 4 3
5.8 A AND J 3 MATRICES A N D T H E IRREGULAR SOLUTION 44
5.9 ANGULAR MOMENTUM EXPANSION OF T H E GREEN FUNCTION FOR A PARTICLE IN
A POTENTIAL 48
I I I R E L A T I V I S T I C S I N G L E - S I T E S C A T T E R I N G
5 1
6 D I R A C E Q U A T I O N 5 2
6.1 RELATIVISTIC Q U A N T U M MECHANICS 52
6.2 T H E FREE ELECTRON 53
6.3 ELECTRON IN A POTENTIAL 54
6.4 RELATIVISTIC CORRECTIONS T O T H E SCHRODINGER EQUATION 55
7 A N G U L A R M O M E N T U M O P E R A T O R S , E I G E N V A L U E
S A N D E I G E N F U N C T I O N S 5 7
7.1 ORBITAL ANGULAR M O M E N T U M OPERATOR 57
7.2 SPIN OPERATOR 58
7.3 TOTAL ANGULAR MOMENTUM OPERATOR 59
7.4 SPIN-ORBIT OPERATOR 59
7.4.1 T H E DIRAC HAMILTONIAN IN SPIN-ORBIT OPERATOR NOTATION . . . 59
7.4.2 EIGENVALUES OF T H E SPIN-ORBIT OPERATOR 61
7.5 SPIN SPHERICAL HARMONICS 62
8 T H E F R E E D I R A C P A R T I C L E 6 9
8.1 SOLUTION OF T H E FREE DIRAC EQUATION: DIRAC PLANE WAVES 69
8.2 SOLUTION OF THE FREE DIRAC EQUATION FOR SEPARATED RADIAL AND ANGULAR
P A R T S 71
8.3 ANGULAR MOMENTUM EXPANSION OF A DIRAC PLANE WAVE 75
9 F R E E P A R T I C L E G R E E N F U N C T I O N 7 9
9.1 DERIVATION 79
9.2 ANGULAR M O M E N T U M EXPANSION 80
IMAGE 3
10 R E L A T I V I S T I C L I P P M A N N - S C H W I N G E R E Q U A T
I O N S 8 4
10.1 DERIVATION 84
10.2 ANGULAR MOMENTUM EXPANSION OF T H E LIPPMANN-SCHWINGER EQUATIONS 85
10.3 ANGULAR MOMENTUM EXPANSION OF THE RELATIVISTIC GREEN FUNCTION FOR A
PARTICLE IN A POTENTIAL 87
10.4 T MATRIX A N D P H A S E SHIFT 94
10.5 ANGULAR MOMENTUM EXPANSION OF T H E POTENTIAL 98
10.6 COUPLED RADIAL EQUATIONS FOR FULL-POTENTIAL SPIN-POLARISED K K R .
. 104
10.7 COUPLED RADIAL EQUATIONS FOR FULL-POTENTIAL SPIN-CURRENT K K R . .
. 109
10.8 DECOUPLED RADIAL EQUATIONS FOR A SPHERICAL POTENTIAL WITHOUT A MAG
NETIC FIELD I L L
10.9 FROM FREDHOLM T O VOLTERRA REPRESENTATION 113
I V I M P L E M E N T A T I O N A N D A P P L I C A T I O N S 1 1 7
11 N U M E R I C A L T E C H N I Q U E S 1 1 8
11.1 CHEBYSHEV QUADRATURE 118
11.2 CHEBYSHEV EXPANSION 121
11.3 LEBEDEV-LAIKOV QUADRATURE 122
12 D I R A C S I N G L E - S I T E S O L V E R 1 2 4
12.1 ALGORITHM 124
12.2 SKEW SCATTERING A T A TUNGSTEN IMPURITY 127
13 C O N C L U S I O N 1 3 0
|
| any_adam_object | 1 |
| author | Kordt, Pascal |
| author_facet | Kordt, Pascal |
| author_role | aut |
| author_sort | Kordt, Pascal |
| author_variant | p k pk |
| building | Verbundindex |
| bvnumber | BV040096006 |
| ctrlnum | (OCoLC)796200995 (DE-599)DNB1021412856 |
| dewey-full | 530.416 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 530 - Physics |
| dewey-raw | 530.416 |
| dewey-search | 530.416 |
| dewey-sort | 3530.416 |
| dewey-tens | 530 - Physics |
| discipline | Physik |
| format | Book |
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| id | DE-604.BV040096006 |
| illustrated | Not Illustrated |
| indexdate | 2024-07-10T00:16:46Z |
| institution | BVB |
| isbn | 9783893367603 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-024952674 |
| oclc_num | 796200995 |
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| owner_facet | DE-12 |
| physical | 138 S. 240 mm x 170 mm |
| publishDate | 2012 |
| publishDateSearch | 2012 |
| publishDateSort | 2012 |
| publisher | Forschungszentrum Jülich |
| record_format | marc |
| series | Schriften des Forschungszentrums Jülich |
| series2 | Schriften des Forschungszentrums Jülich : Reihe Schlüsseltechnologien |
| spelling | Kordt, Pascal Verfasser aut Single-site green function of the dirac equation for full-potential electron scattering Pascal Kordt Jülich Forschungszentrum Jülich 2012 138 S. 240 mm x 170 mm txt rdacontent n rdamedia nc rdacarrier Schriften des Forschungszentrums Jülich : Reihe Schlüsseltechnologien Bd. 34 Schriften des Forschungszentrums Jülich Reihe Schlüsseltechnologien ; Bd. 34 (DE-604)BV023237997 34 DNB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=024952674&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Kordt, Pascal Single-site green function of the dirac equation for full-potential electron scattering Schriften des Forschungszentrums Jülich |
| title | Single-site green function of the dirac equation for full-potential electron scattering |
| title_auth | Single-site green function of the dirac equation for full-potential electron scattering |
| title_exact_search | Single-site green function of the dirac equation for full-potential electron scattering |
| title_full | Single-site green function of the dirac equation for full-potential electron scattering Pascal Kordt |
| title_fullStr | Single-site green function of the dirac equation for full-potential electron scattering Pascal Kordt |
| title_full_unstemmed | Single-site green function of the dirac equation for full-potential electron scattering Pascal Kordt |
| title_short | Single-site green function of the dirac equation for full-potential electron scattering |
| title_sort | single site green function of the dirac equation for full potential electron scattering |
| url | http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=024952674&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| volume_link | (DE-604)BV023237997 |
| work_keys_str_mv | AT kordtpascal singlesitegreenfunctionofthediracequationforfullpotentialelectronscattering |