Full-potential electronic structure method: energy and force calculations with density functional and dynamical mean field theory
Saved in:
| Format: | Book |
|---|---|
| Language: | English |
| Published: |
Berlin [u.a.]
Springer
2010
|
| Series: | Springer series in solid state sciences
167 |
| Subjects: | |
| Online Access: | Inhaltstext Inhaltsverzeichnis |
| Item Description: | Literaturangaben |
| Physical Description: | XII, 197 S. Ill., graph. Darst. 25 cm |
| ISBN: | 9783642151439 |
Staff View
MARC
| LEADER | 00000nam a2200000 cb4500 | ||
|---|---|---|---|
| 001 | BV037193539 | ||
| 003 | DE-604 | ||
| 005 | 20130712 | ||
| 007 | t | ||
| 008 | 110131s2010 gw ad|| |||| 00||| eng d | ||
| 015 | |a 10,N29 |2 dnb | ||
| 015 | |a 11,A03 |2 dnb | ||
| 016 | 7 | |a 1004409370 |2 DE-101 | |
| 020 | |a 9783642151439 |c Pp. : EUR 106.95 (freier Pr.), sfr 155.50 (freier Pr.) |9 978-3-642-15143-9 | ||
| 024 | 3 | |a 9783642151439 | |
| 028 | 5 | 2 | |a 12717651 |
| 035 | |a (OCoLC)698637392 | ||
| 035 | |a (DE-599)DNB1004409370 | ||
| 040 | |a DE-604 |b ger |e rakddb | ||
| 041 | 0 | |a eng | |
| 044 | |a gw |c XA-DE-BE | ||
| 049 | |a DE-11 |a DE-83 |a DE-19 |a DE-384 |a DE-188 | ||
| 082 | 0 | |a 530.411 |2 22/ger | |
| 084 | |a UP 3600 |0 (DE-625)146385: |2 rvk | ||
| 084 | |a 530 |2 sdnb | ||
| 245 | 1 | 0 | |a Full-potential electronic structure method |b energy and force calculations with density functional and dynamical mean field theory |c John M. Wills ... |
| 246 | 1 | 3 | |a Full potential electronic structure method |
| 264 | 1 | |a Berlin [u.a.] |b Springer |c 2010 | |
| 300 | |a XII, 197 S. |b Ill., graph. Darst. |c 25 cm | ||
| 336 | |b txt |2 rdacontent | ||
| 337 | |b n |2 rdamedia | ||
| 338 | |b nc |2 rdacarrier | ||
| 490 | 1 | |a Springer series in solid state sciences |v 167 | |
| 500 | |a Literaturangaben | ||
| 650 | 0 | 7 | |a Dichtefunktionalformalismus |0 (DE-588)4258514-4 |2 gnd |9 rswk-swf |
| 650 | 0 | 7 | |a Elektronenstruktur |0 (DE-588)4129531-6 |2 gnd |9 rswk-swf |
| 650 | 0 | 7 | |a Mean-Field-Theorie |0 (DE-588)4337622-8 |2 gnd |9 rswk-swf |
| 689 | 0 | 0 | |a Elektronenstruktur |0 (DE-588)4129531-6 |D s |
| 689 | 0 | 1 | |a Dichtefunktionalformalismus |0 (DE-588)4258514-4 |D s |
| 689 | 0 | 2 | |a Mean-Field-Theorie |0 (DE-588)4337622-8 |D s |
| 689 | 0 | |5 DE-604 | |
| 700 | 1 | |a Wills, John M. |e Sonstige |4 oth | |
| 776 | 0 | 8 | |i Erscheint auch als |n Online-Ausgabe |z 978-3-642-15144-6 |
| 830 | 0 | |a Springer series in solid state sciences |v 167 |w (DE-604)BV000016582 |9 167 | |
| 856 | 4 | 2 | |m X:MVB |q text/html |u http://deposit.dnb.de/cgi-bin/dokserv?id=3513882&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=021107904&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |3 Inhaltsverzeichnis |
| 943 | 1 | |a oai:aleph.bib-bvb.de:BVB01-021107904 | |
Record in the Search Index
| _version_ | 1805095293532766208 |
|---|---|
| adam_text |
IMAGE 1
CONTENTS
PART I FORMALISMS
1 INTRODUCTORY INFORMATION 3
1.1 OBJECTIVES AND WHAT YOU WILL LEARN FROM READING THIS BOOK 3 1.2 ON
UNITS 4
1.3 OBTAINING RSPT AND THE RSPT WEB SITE 4
1.4 A SHORT COMMENT ON THE HISTORY OF LINEAR MUFFIN-TIN ORBITALS AND
RSPT 4
2 DENSITY FUNCTIONAL THEORY AND THE KOHN-SHAM EQUATION . 7 2.1 THE
MANY-PARTICLE PROBLEM 8
2.2 EARLY ATTEMPTS TO SOLVE THE MANY-PARTICLE PROBLEM 10 2.2.1 FREE
ELECTRON MODEL 10
2.2.2 THE HARTREE AND HARTREE-FOCK APPROACHES 10 2.2.3 THOMAS-FERMI
THEORY 11
2.3 DENSITY FUNCTIONAL THEORY 12
2.3.1 HOHENBERG-KOHN THEORY 12
2.3.2 THE KOHN-SHAM EQUATION 14
2.3.3 APPROXIMATIONS TO E XC [N] 16
3 CONSEQUENCES OF INFINITE CRYSTALS AND SYMMETRIES 21
4 INTRODUCTION TO ELECTRONIC STRUCTURE THEORY 25
4.1 BORN-OPPENHEIMER APPROXIMATION AND ONE-ELECTRON THEORY . 25 4.2
BORN-VON KARMAN BOUNDARY CONDITION AND BLOCH WAVES . . . 25 4.3 ENERGY
BANDS AND THE FERMI LEVEL 26
4.4 DIFFERENT TYPES OF K-SPACE INTEGRATION 27
4.5 SELF-CONSISTENT FIELDS 31
4.6 RAYLEIGH-RITZ VARIATIONAL PROCEDURE 33
BIBLIOGRAFISCHE INFORMATIONEN HTTP://D-NB.INFO/1004409370
DIGITALISIERT DURCH
IMAGE 2
CONTENTS
LINEAR MUFFIN-TIN ORBITAL METHOD IN THE ATOMIC SPHERE APPROXIMATION 35
5.1 MUFFIN-TIN METHODS 35
5.1.1 THE KORRINGA, KOHN, AND ROSTOKER (KKR) METHOD 36 5.1.2 THE KKR-ASA
METHOD 39
5.1.3 THE LMTO-ASA METHOD 40
5.1.4 MATRIX ELEMENTS OF THE HAMILTONIAN 42
5.1.5 LOGARITHMIC DERIVATIVES AND CHOICE OF THE LINEARIZATION ENERGIES
44
5.1.6 ADVANTAGES OF LMTO-ASA METHOD 45
THE FULL-POTENTIAL ELECTRONIC STRUCTURE PROBLEM AND RSPT 47 6.1 GENERAL
ASPECTS 47
6.1.1 NOTATION 47
6.1.2 DIVIDING SPACE: THE MUFFIN-TIN GEOMETRY 49
6.1.3 A NOTE ON THE LANGUAGE OF FPLMTO METHODS 49
6.2 SYMMETRIC FUNCTIONS IN RSPT 50
6.2.1 THE FOURIER GRID FOR SYMMETRIC FUNCTIONS IN RSPT 52 6.3 BASIS
FUNCTIONS 52
6.3.1 MUFFIN-TIN ORBITALS 52
6.3.2 FP-LMTO BASIS FUNCTIONS 53
6.3.3 CHOOSING A BASIS SET 58
6.3.4 CHOOSING BASIS PARAMETERS 58
6.4 MATRIX ELEMENTS 62
6.4.1 MUFFIN-TIN MATRIX ELEMENTS 62
6.4.2 INTERSTITIAL MATRIX ELEMENTS 63
6.5 CHARGE DENSITY 66
6.6 CORE STATES 67
6.7 POTENTIAL 67
6.7.1 COULOMB POTENTIAL 67
6.7.2 DENSITY GRADIENTS 69
6.8 ALL-ELECTRON FORCE CALCULATIONS 69
6.8.1 SYMMETRY 69
6.8.2 HELMANN-FEYNMAN AND INCOMPLETE BASIS SET CONTRIBUTIONS 70
DYNAMICAL MEAN FIELD THEORY 75
7.1 STRONG CORRELATIONS 75
7.2 LDA/GGA+DMFT METHOD 76
7.2.1 LDA/GGA+U HAMILTONIAN 77
7.2.2 LDA/GGA+DMFT EQUATIONS 78
7.3 IMPLEMENTATION 80
7.3.1 USING THE LMTO BASIS SET 81
7.3.2 CORRELATED ORBITALS 82
7.3.3 OTHER TECHNICAL DETAILS 82
IMAGE 3
CONTENTS XI
7.4 EXAMPLES 83
7.4.1 BODY-CENTERED CUBIC IRON 83
7.4.2 SYSTEMS CLOSE TO LOCALIZATION, THE HUBBARD-I APPROXIMATION 85
IMPLEMENTATION 89
8.1 FORTRAN-C INTERFACE 89
8.2 DIAGONALIZATION 90
8.3 FAST FOURIER TRANSFORMS 91
8.4 PARALLELIZATION 92
OBTAINING RSPT FROM THE WEB 95
9.1 INSTALLING RSPT 95
9.2 RUNNING RSPT 96
PART II APPLICATIONS
10 TOTAL ENERGY AND FORCES: SOME NUMERICAL EXAMPLES 101 10.1 EQUATION OF
STATE 101
10.1.1 CONVERGENCE 105
10.2 PHONON CALCULATIONS 106
11 CHEMICAL BONDING OF SOLIDS I LL
11.1 ELECTRON DENSITIES 112
11.2 CRYSTAL ORBITAL OVERLAP POPULATION (COOP) 112
11.3 EQUILIBRIUM VOLUMES OF MATERIALS 115
11.3.1 TRANSITION METALS 116
11.3.2 LANTHANIDES AND ACTINIDES 117
11.3.3 COMPOUNDS 120
11.4 COHESIVE ENERGY 121
11.5 STRUCTURAL STABILITY AND PRESSURE-INDUCED PHASE TRANSITIONS . 122
11.5.1 AN SP-BONDED MATERIAL, CA 122
11.5.2 TRANSITION METALS 124
11.5.3 SYSTEMS WITH F-ELECTRONS 125
11.6 VALENCE CONFIGURATION OF F-ELEMENTS 126
11.7 ELASTIC CONSTANTS 128
12 MAGNETISM 133
12.1 SPIN AND ORBITAL MOMENTS OF ITINERANT ELECTRON SYSTEMS 134 12.1.1
SYMMETRY ASPECTS OF RELATIVISTIC SPIN-POLARIZED CALCULATIONS 136
12.1.2 ELEMENTS AND COMPOUNDS 136
12.1.3 SURFACES 138
12.2 MAGNETIC ANISOTROPY ENERGY 139
IMAGE 4
XII CONTENTS
12.2.1 K-SPACE CONVERGENCE 140
12.2.2 MAE OF HEP GD 141
12.3 MAGNETISM OF NANO-OBJECTS 142
13 EXCITATED STATE PROPERTIES 145
13.1 PHENOMENOLOGY 145
13.1.1 INDEX OF REFRACTION AND ATTENUATION COEFFICIENT 148 13.1.2
REFLECTIVITY 148
13.1.3 ABSORPTION COEFFICIENT 149
13.1.4 ENERGY LOSS 149
13.1.5 FARADAY EFFECT 149
13.1.6 MAGNETO-OPTICAL KERR EFFECT 150
13.2 EXCITED STATES WITH DFT: A CONTRADICTION IN TERMS? 151 13.3
QUASIPARTICLE THEORY VERSUS THE LOCAL DENSITY APPROXIMATION 152 13.4
CALCULATION OF THE DIELECTRIC FUNCTION 154
13.4.1 DYNAMICAL DIELECTRIC FUNCTION 154
13.4.2 MOMENTUM MATRIX ELEMENTS 156
13.4.3 VELOCITY OPERATOR AND SUM RULES 158
13.5 OPTICAL PROPERTIES OF SEMICONDUCTORS 159
13.6 OPTICAL PROPERTIES OF METALS 162
13.7 MAGNETO-OPTICAL PROPERTIES 164
13.8 X-RAY ABSORPTION AND X-RAY MAGNETIC CIRCULAR DICHROISM . . 166
13.8.1 THE XMCD FORMALISM 167
13.8.2 THE XMCD SUM RULES 170
14 A DATABASE OF ELECTRONIC STRUCTURES 179
14.1 DATABASE GENERATION 179
14.2 DATA-MINING: AN EXAMPLE FROM SCINTILLATING MATERIALS 180
15 FUTURE DEVELOPMENTS AND OUTLOOK 183
REFERENCES 187
INDEX 195 |
| any_adam_object | 1 |
| building | Verbundindex |
| bvnumber | BV037193539 |
| classification_rvk | UP 3600 |
| ctrlnum | (OCoLC)698637392 (DE-599)DNB1004409370 |
| dewey-full | 530.411 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 530 - Physics |
| dewey-raw | 530.411 |
| dewey-search | 530.411 |
| dewey-sort | 3530.411 |
| dewey-tens | 530 - Physics |
| discipline | Physik |
| format | 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">BV037193539</controlfield><controlfield tag="003">DE-604</controlfield><controlfield tag="005">20130712</controlfield><controlfield tag="007">t</controlfield><controlfield tag="008">110131s2010 gw ad|| |||| 00||| eng d</controlfield><datafield tag="015" ind1=" " ind2=" "><subfield code="a">10,N29</subfield><subfield code="2">dnb</subfield></datafield><datafield tag="015" ind1=" " ind2=" "><subfield code="a">11,A03</subfield><subfield code="2">dnb</subfield></datafield><datafield tag="016" ind1="7" ind2=" "><subfield code="a">1004409370</subfield><subfield code="2">DE-101</subfield></datafield><datafield tag="020" ind1=" " ind2=" "><subfield code="a">9783642151439</subfield><subfield code="c">Pp. : EUR 106.95 (freier Pr.), sfr 155.50 (freier Pr.)</subfield><subfield code="9">978-3-642-15143-9</subfield></datafield><datafield tag="024" ind1="3" ind2=" "><subfield code="a">9783642151439</subfield></datafield><datafield tag="028" ind1="5" ind2="2"><subfield code="a">12717651</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(OCoLC)698637392</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-599)DNB1004409370</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-BE</subfield></datafield><datafield tag="049" ind1=" " ind2=" "><subfield code="a">DE-11</subfield><subfield code="a">DE-83</subfield><subfield code="a">DE-19</subfield><subfield code="a">DE-384</subfield><subfield code="a">DE-188</subfield></datafield><datafield tag="082" ind1="0" ind2=" "><subfield code="a">530.411</subfield><subfield code="2">22/ger</subfield></datafield><datafield tag="084" ind1=" " ind2=" "><subfield code="a">UP 3600</subfield><subfield code="0">(DE-625)146385:</subfield><subfield code="2">rvk</subfield></datafield><datafield tag="084" ind1=" " ind2=" "><subfield code="a">530</subfield><subfield code="2">sdnb</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Full-potential electronic structure method</subfield><subfield code="b">energy and force calculations with density functional and dynamical mean field theory</subfield><subfield code="c">John M. Wills ...</subfield></datafield><datafield tag="246" ind1="1" ind2="3"><subfield code="a">Full potential electronic structure method</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="a">Berlin [u.a.]</subfield><subfield code="b">Springer</subfield><subfield code="c">2010</subfield></datafield><datafield tag="300" ind1=" " ind2=" "><subfield code="a">XII, 197 S.</subfield><subfield code="b">Ill., graph. Darst.</subfield><subfield code="c">25 cm</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">Springer series in solid state sciences</subfield><subfield code="v">167</subfield></datafield><datafield tag="500" ind1=" " ind2=" "><subfield code="a">Literaturangaben</subfield></datafield><datafield tag="650" ind1="0" ind2="7"><subfield code="a">Dichtefunktionalformalismus</subfield><subfield code="0">(DE-588)4258514-4</subfield><subfield code="2">gnd</subfield><subfield code="9">rswk-swf</subfield></datafield><datafield tag="650" ind1="0" ind2="7"><subfield code="a">Elektronenstruktur</subfield><subfield code="0">(DE-588)4129531-6</subfield><subfield code="2">gnd</subfield><subfield code="9">rswk-swf</subfield></datafield><datafield tag="650" ind1="0" ind2="7"><subfield code="a">Mean-Field-Theorie</subfield><subfield code="0">(DE-588)4337622-8</subfield><subfield code="2">gnd</subfield><subfield code="9">rswk-swf</subfield></datafield><datafield tag="689" ind1="0" ind2="0"><subfield code="a">Elektronenstruktur</subfield><subfield code="0">(DE-588)4129531-6</subfield><subfield code="D">s</subfield></datafield><datafield tag="689" ind1="0" ind2="1"><subfield code="a">Dichtefunktionalformalismus</subfield><subfield code="0">(DE-588)4258514-4</subfield><subfield code="D">s</subfield></datafield><datafield tag="689" ind1="0" ind2="2"><subfield code="a">Mean-Field-Theorie</subfield><subfield code="0">(DE-588)4337622-8</subfield><subfield code="D">s</subfield></datafield><datafield tag="689" ind1="0" ind2=" "><subfield code="5">DE-604</subfield></datafield><datafield tag="700" ind1="1" ind2=" "><subfield code="a">Wills, John M.</subfield><subfield code="e">Sonstige</subfield><subfield code="4">oth</subfield></datafield><datafield tag="776" ind1="0" ind2="8"><subfield code="i">Erscheint auch als</subfield><subfield code="n">Online-Ausgabe</subfield><subfield code="z">978-3-642-15144-6</subfield></datafield><datafield tag="830" ind1=" " ind2="0"><subfield code="a">Springer series in solid state sciences</subfield><subfield code="v">167</subfield><subfield code="w">(DE-604)BV000016582</subfield><subfield code="9">167</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=3513882&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=021107904&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:BVB01-021107904</subfield></datafield></record></collection> |
| id | DE-604.BV037193539 |
| illustrated | Illustrated |
| indexdate | 2024-07-20T10:57:00Z |
| institution | BVB |
| isbn | 9783642151439 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-021107904 |
| oclc_num | 698637392 |
| open_access_boolean | |
| owner | DE-11 DE-83 DE-19 DE-BY-UBM DE-384 DE-188 |
| owner_facet | DE-11 DE-83 DE-19 DE-BY-UBM DE-384 DE-188 |
| physical | XII, 197 S. Ill., graph. Darst. 25 cm |
| publishDate | 2010 |
| publishDateSearch | 2010 |
| publishDateSort | 2010 |
| publisher | Springer |
| record_format | marc |
| series | Springer series in solid state sciences |
| series2 | Springer series in solid state sciences |
| spelling | Full-potential electronic structure method energy and force calculations with density functional and dynamical mean field theory John M. Wills ... Full potential electronic structure method Berlin [u.a.] Springer 2010 XII, 197 S. Ill., graph. Darst. 25 cm txt rdacontent n rdamedia nc rdacarrier Springer series in solid state sciences 167 Literaturangaben Dichtefunktionalformalismus (DE-588)4258514-4 gnd rswk-swf Elektronenstruktur (DE-588)4129531-6 gnd rswk-swf Mean-Field-Theorie (DE-588)4337622-8 gnd rswk-swf Elektronenstruktur (DE-588)4129531-6 s Dichtefunktionalformalismus (DE-588)4258514-4 s Mean-Field-Theorie (DE-588)4337622-8 s DE-604 Wills, John M. Sonstige oth Erscheint auch als Online-Ausgabe 978-3-642-15144-6 Springer series in solid state sciences 167 (DE-604)BV000016582 167 X:MVB text/html http://deposit.dnb.de/cgi-bin/dokserv?id=3513882&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=021107904&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Full-potential electronic structure method energy and force calculations with density functional and dynamical mean field theory Springer series in solid state sciences Dichtefunktionalformalismus (DE-588)4258514-4 gnd Elektronenstruktur (DE-588)4129531-6 gnd Mean-Field-Theorie (DE-588)4337622-8 gnd |
| subject_GND | (DE-588)4258514-4 (DE-588)4129531-6 (DE-588)4337622-8 |
| title | Full-potential electronic structure method energy and force calculations with density functional and dynamical mean field theory |
| title_alt | Full potential electronic structure method |
| title_auth | Full-potential electronic structure method energy and force calculations with density functional and dynamical mean field theory |
| title_exact_search | Full-potential electronic structure method energy and force calculations with density functional and dynamical mean field theory |
| title_full | Full-potential electronic structure method energy and force calculations with density functional and dynamical mean field theory John M. Wills ... |
| title_fullStr | Full-potential electronic structure method energy and force calculations with density functional and dynamical mean field theory John M. Wills ... |
| title_full_unstemmed | Full-potential electronic structure method energy and force calculations with density functional and dynamical mean field theory John M. Wills ... |
| title_short | Full-potential electronic structure method |
| title_sort | full potential electronic structure method energy and force calculations with density functional and dynamical mean field theory |
| title_sub | energy and force calculations with density functional and dynamical mean field theory |
| topic | Dichtefunktionalformalismus (DE-588)4258514-4 gnd Elektronenstruktur (DE-588)4129531-6 gnd Mean-Field-Theorie (DE-588)4337622-8 gnd |
| topic_facet | Dichtefunktionalformalismus Elektronenstruktur Mean-Field-Theorie |
| url | http://deposit.dnb.de/cgi-bin/dokserv?id=3513882&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=021107904&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA |
| volume_link | (DE-604)BV000016582 |
| work_keys_str_mv | AT willsjohnm fullpotentialelectronicstructuremethodenergyandforcecalculationswithdensityfunctionalanddynamicalmeanfieldtheory AT willsjohnm fullpotentialelectronicstructuremethod |