Verfügbarkeit: Quantal density functional theory

Quantal density functional theory:

Gespeichert in:

Bibliographische Detailangaben
1. Verfasser:	Sahni, Viraht 1944- (VerfasserIn)
Format:	Buch
Sprache:	German
Veröffentlicht:	Berlin [u.a.] Springer 2004
Schriftenreihe:	Physics and astronomy online library
Schlagworte:	Quantentheorie Density functionals Quantum theory Quantenmechanisches System Elektronenkorrelation Dichtefunktionalformalismus
Online-Zugang:	Inhaltsverzeichnis
Beschreibung:	XIII, 256 S. graph. Darst. : 24 cm
ISBN:	3540408843

Internformat

MARC


LEADER	00000nam a2200000 c 4500
001	BV017491689
003	DE-604
005	20040514
007	t
008	030909s2004 gw d\|\|\| \|\|\|\| 00\|\|\| ger d
016	7		\|a 968667864 \|2 DE-101
020			\|a 3540408843 \|9 3-540-40884-3
035			\|a (OCoLC)52819735
035			\|a (DE-599)BVBBV017491689
040			\|a DE-604 \|b ger \|e rakddb
041	0		\|a ger
044			\|a gw \|c DE
049			\|a DE-91G \|a DE-703 \|a DE-11
050		0	\|a QC20.7.D43
082	0		\|a 530.12 \|2 22
084			\|a UK 2000 \|0 (DE-625)145798: \|2 rvk
084			\|a UN 1555 \|0 (DE-625)145936: \|2 rvk
084			\|a PHY 026f \|2 stub
100	1		\|a Sahni, Viraht \|d 1944- \|e Verfasser \|0 (DE-588)12875642X \|4 aut
245	1	0	\|a Quantal density functional theory \|c Viraht Sahni
264		1	\|a Berlin [u.a.] \|b Springer \|c 2004
300			\|a XIII, 256 S. \|b graph. Darst. : 24 cm
336			\|b txt \|2 rdacontent
337			\|b n \|2 rdamedia
338			\|b nc \|2 rdacarrier
490	0		\|a Physics and astronomy online library
650		4	\|a Quantentheorie
650		4	\|a Density functionals
650		4	\|a Quantum theory
650	0	7	\|a Quantenmechanisches System \|0 (DE-588)4300046-0 \|2 gnd \|9 rswk-swf
650	0	7	\|a Elektronenkorrelation \|0 (DE-588)4210527-4 \|2 gnd \|9 rswk-swf
650	0	7	\|a Dichtefunktionalformalismus \|0 (DE-588)4258514-4 \|2 gnd \|9 rswk-swf
689	0	0	\|a Dichtefunktionalformalismus \|0 (DE-588)4258514-4 \|D s
689	0	1	\|a Quantenmechanisches System \|0 (DE-588)4300046-0 \|D s
689	0	2	\|a Elektronenkorrelation \|0 (DE-588)4210527-4 \|D s
689	0		\|5 DE-604
856	4	2	\|m SWB Datenaustausch \|q application/pdf \|u http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=010537602&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA \|3 Inhaltsverzeichnis
999			\|a oai:aleph.bib-bvb.de:BVB01-010537602

Datensatz im Suchindex

_version_	1804130290218565632
adam_text	CONTENTS 1. INTRODUCTION . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 2. SCHR¨ ODINGER THEORY FROM THE PERSPECTIVE OF CLASSICAL FIELDS DERIVED FROM QUANTAL SOURCES . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7 2.1 TIME-DEPENDENT SCHR¨ ODINGER THEORY . . . . . . . . . . . . . . . . . . . . . 7 2.2 DEFINITIONS OF QUANTAL SOURCES . . . . . . . . . . . . . . . . . . . . . . . . . . . 8 2.2.1 ELECTRON DENSITY * ( R T ) . . . . . . . . . . . . . . . . . . . . . . . . . . . . 9 2.2.2 SPINLESS SINGLEPARTICLE DENSITY MATRIX ( RR * T ) . . . . . . 9 2.2.3 PAIRCORRELATION DENSITY G ( RR T ), AND FERMICOULOMB HOLE XC ( RR * T ) . . . . . . . . . . . . . . . . . 10 2.2.4 CURRENT DENSITY J ( R T ). . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11 2.3 DEFINITIONS OF CLASSICAL FIELDS . . . . . . . . . . . . . . . . . . . . . . . . . . . 12 2.3.1 ELECTRONINTERACTION FIELD E EE ( R T ) . . . . . . . . . . . . . . . . . . 12 2.3.2 DIFFERENTIAL DENSITY FIELD D ( R T ) . . . . . . . . . . . . . . . . . . . . 12 2.3.3 KINETIC FIELD Z ( R T ) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 13 2.3.4 CURRENT DENSITY FIELD J ( R T ) . . . . . . . . . . . . . . . . . . . . . . . 13 2.4 ENERGY COMPONENTS IN TERMS OF QUANTAL SOURCES AND FIELDS . 14 2.4.1 ELECTRONINTERACTION POTENTIAL ENERGY E EE ( T ). . . . . . . . . 14 2.4.2 KINETIC ENERGY T ( T ) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15 2.4.3 EXTERNAL POTENTIAL ENERGY E EXT ( T ) . . . . . . . . . . . . . . . . . . 16 2.5 PURE STATE DIFFERENTIAL AND INTEGRAL VIRIAL THEOREMS . . . . . . . . 16 2.6 THE QUANTUMMECHANICAL HYDRODYNAMICAL* EQUATIONS . . . . . 18 2.7 THE INTERNAL FIELD OF THE ELECTRONS AND EHRENFESTS THEOREM . 19 2.8 THE HARMONIC POTENTIAL THEOREM . . . . . . . . . . . . . . . . . . . . . . . . 23 2.9 TIME-INDEPENDENT SCHR¨ ODINGER THEORY: GROUND AND BOUND EXCITED STATES . . . . . . . . . . . . . . . . . . . . . . . . 24 2.9.1 COALESCENCE CONDITIONS . . . . . . . . . . . . . . . . . . . . . . . . . . . 26 2.9.2 ASYMPTOTIC STRUCTURE OF WAVEFUNCTION AND DENSITY . . . 27 2.10 EXAMPLES OF THE FIELD PERSPECTIVE: THE GROUND AND FIRST EXCITED SINGLET STATE OF THE HOOKES ATOM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 30 2.10.1 WAVEFUNCTION, ORBITAL FUNCTION, AND DENSITY . . . . . . . . 31 2.10.2 FERMICOULOMB HOLE CHARGE DISTRIBUTION XC ( RR * ) . . . 34 X CONTENTS 2.10.3 HARTREE, PAULICOULOMB, AND ELECTRONINTERACTION FIELDS E H ( R ), E XC ( R ) , E EE ( R ) AND ENERGIES E H ,E XC ,E EE . . . . . . . . . . . . . . . . . . . . . . . . . 36 2.10.4 KINETIC FIELD Z ( R ) AND KINETIC ENERGY T . . . . . . . . . . . 39 2.10.5 DIFFERENTIAL DENSITY FIELD D ( R ). . . . . . . . . . . . . . . . . . . . . 40 2.10.6 TOTAL ENERGY E AND IONIZATION POTENTIAL I . . . . . . . . . . . 42 2.10.7 EXPECTATIONS OF OTHER SINGLEPARTICLE OPERATORS . . . . . 42 2.11 SCHR¨ ODINGER THEORY AND QUANTUM FLUID DYNAMICS . . . . . . . . . 43 2.11.1 SINGLEELECTRON CASE. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 43 2.11.2 MANYELECTRON CASE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 45 3. QUANTAL DENSITY FUNCTIONAL THEORY . . . . . . . . . . . . . . . . . . . . . . . 49 3.1 TIME-DEPENDENT QUANTAL DENSITY FUNCTIONAL THEORY . . . . . . . 50 3.1.1 QUANTAL SOURCES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 51 3.1.2 FIELDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 54 3.1.3 TOTAL ENERGY AND COMPONENTS IN TERMS OF QUANTAL SOURCES AND FIELDS . . . . . . . . . . . . . 57 3.1.4 EFFECTIVE FIELD F EFF ( R T ) AND ELECTRONINTERACTION POTENTIAL ENERGY V EE ( R T ). . . . . . . . . . . . . . . . . . . . . . . . . . . 60 3.2 SUM RULES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 63 3.2.1 INTEGRAL VIRIAL THEOREM . . . . . . . . . . . . . . . . . . . . . . . . . . . 63 3.2.2 EHRENFESTS THEOREM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 63 3.2.3 TORQUE SUM RULE. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 64 3.3 TIME-INDEPENDENT QUANTAL DENSITY FUNCTIONAL THEORY . . . . . . 65 3.3.1 QUANTAL SOURCES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 66 3.3.2 FIELDS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 67 3.3.3 TOTAL ENERGY AND COMPONENTS . . . . . . . . . . . . . . . . . . . . . 67 3.3.4 EFFECTIVE FIELD F EFF ( R ) AND ELECTRONINTERACTION POTENTIAL ENERGY V EE ( R ) . . . . . . . . . . . . . . . . . . . . . . . . . . . 68 3.3.5 SUM RULES. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 69 3.3.6 HIGHEST OCCUPIED EIGENVALUE * M . . . . . . . . . . . . . . . . . . . . 70 3.3.7 ENDNOTE. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 70 3.4 APPLICATION OF QDFT TO THE GROUND AND FIRST EXCITED SINGLET STATE OF THE HOOKES ATOM . . . . . . . . 71 3.4.1 S SYSTEM WAVEFUNCTION, SPINORBITALS, AND DENSITY . . 71 3.4.2 PAIRCORRELATION DENSITY; FERMI AND COULOMB HOLE CHARGE DISTRIBUTIONS . . . . . . . 72 3.4.3 HARTREE, PAULI, AND COULOMB FIELDS E H ( R ) , E X ( R ), E C ( R ) AND ENERGIES E H ,E X ,E C . . . . . . . . . 77 3.4.4 HARTREE W H ( R ), PAULI W X ( R ), AND COULOMB W C ( R ) POTENTIAL ENERGIES. . . . . . . . . . . . . . 79 3.4.5 CORRELATIONKINETIC FIELD Z T C ( R ), ENERGY T C , AND POTENTIAL ENERGY W T C ( R ). . . . . . . . . . . . . . . . . . . . . . . 81 3.4.6 TOTAL ENERGY AND IONIZATION POTENTIAL. . . . . . . . . . . . . . . 85 CONTENTS XI 3.5 QUANTAL DENSITY FUNCTIONAL THEORY OF HARTREEFOCK AND HARTREE THEORIES . . . . . . . . . . . . . . . . . . . . . 86 3.5.1 HARTREEFOCK THEORY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 87 3.5.2 THE SLATERBARDEEN INTERPRETATION OF HARTREEFOCK THEORY . . . . . . . . . . . . . . . . . . . . . . . . . . . 89 3.5.3 THEOREMS IN HARTREEFOCK THEORY . . . . . . . . . . . . . . . . . . 90 3.5.4 QDFT OF HARTREEFOCK THEORY . . . . . . . . . . . . . . . . . . . 91 3.5.5 HARTREE THEORY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 94 3.5.6 QDFT OF HARTREE THEORY. . . . . . . . . . . . . . . . . . . . . . . . . 96 4. THE HOHENBERGKOHN THEOREMS AND KOHNSHAM DENSITY FUNCTIONAL THEORY . . . . . . . . . . . . . . 99 4.1 THE HOHENBERGKOHN THEOREMS . . . . . . . . . . . . . . . . . . . . . . . . . 100 4.1.1 INVERSE MAPS AND CONSTRAINED SEARCH . . . . . . . . . . . . . . . 105 4.2 KOHNSHAM DENSITY FUNCTIONAL THEORY . . . . . . . . . . . . . . . . . . . 107 4.3 TIME-DEPENDENT DENSITY FUNCTIONAL THEORY . . . . . . . . . . . . . . . 111 4.4 COROLLARY TO THE HOHENBERGKOHN THEOREM . . . . . . . . . . . . . . . . 114 4.4.1 TIME-INDEPENDENT CASE . . . . . . . . . . . . . . . . . . . . . . . . . . . 115 4.4.2 TIME-DEPENDENT CASE . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120 4.4.3 ENDNOTE. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 122 5. PHYSICAL INTERPRETATION OF KOHNSHAM DENSITY FUNCTIONAL THEORY . . . . . . . . . . . . . . . . 125 5.1 INTERPRETATION OF THE KOHNSHAM ELECTRONINTERACTION ENERGY FUNCTIONAL E KS EE [ ] AND ITS DERIVATIVE V EE ( R ) . . . . . . . . . 126 5.2 ADIABATIC COUPLING CONSTANT SCHEME . . . . . . . . . . . . . . . . . . . . . 130 5.2.1 QDFT WITHIN ADIABATIC COUPLING CONSTANT FRAMEWORK. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131 5.2.2 KSDFT WITHIN ADIABATIC COUPLING CONSTANT FRAMEWORK. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 133 5.2.3 QDFT AND KSDFT IN TERMS OF THE ADIABATIC COUPLING CONSTANT PERTURBATION EXPANSION . . . . . . . . . . 135 5.3 INTERPRETATION OF THE KOHNSHAM EXCHANGE* ENERGY FUNCTIONAL E KS X [ * ] AND ITS DERIVATIVE V X ( R ). . . . . . . . . . 137 5.4 INTERPRETATION OF THE KOHNSHAM CORRELATION* ENERGY FUNCTIONAL E KS C [ * ] AND ITS DERIVATIVE V C ( R ) . . . . . . . . . . 138 5.5 INTERPRETATION OF THE KSDFT OF HARTREEFOCK THEORY . . . . . . 139 5.6 INTERPRETATION OF THE KSDFT OF HARTREE THEORY . . . . . . . . . . . 140 5.7 THE OPTIMIZED POTENTIAL METHOD . . . . . . . . . . . . . . . . . . . . . . . . . 141 5.7.1 THE EXCHANGEONLY OPTIMIZED POTENTIAL METHOD . . . . 142 5.8 PHYSICAL INTERPRETATION OF THE OPTIMIZED POTENTIAL METHOD . . 146 5.8.1 INTERPRETATION OF EXCHANGEONLY* OPM. . . . . . . . . . . . . 147 XII CONTENTS 6. QUANTAL DENSITY FUNCTIONAL THEORY OF THE DENSITY AMPLITUDE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 153 6.1 DENSITY FUNCTIONAL THEORY OF THE B SYSTEM . . . . . . . . . . . . . . . . 154 6.1.1 DFT DEFINITIONS OF THE PAULI KINETIC AND POTENTIAL ENERGIES . . . . . . . . . . . . . . . . . . . . . . . . . . . . 157 6.2 DERIVATION OF THE DIFFERENTIAL EQUATION FOR THE DENSITY AMPLITUDE FROM THE SCHR¨ ODINGER EQUATION . . . 158 6.3 QUANTAL DENSITY FUNCTIONAL THEORY OF THE B SYSTEM . . . . . . . . 161 6.3.1 QDFT DEFINITIONS OF THE PAULI KINETIC AND POTENTIAL ENERGY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 164 6.4 ENDNOTE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 166 7. QUANTAL DENSITY FUNCTIONAL THEORY OF THE DISCONTINUITY IN THE ELECTRONINTERACTION POTENTIAL ENERGY . . . . . . . . . . . . . 167 7.1 ORIGIN OF THE DISCONTINUITY OF THE ELECTRONINTERACTION POTENTIAL ENERGY . . . . . . . . . . . . . . . 168 7.2 EXPRESSION FOR DISCONTINUITY IN TERMS OF S SYSTEM EIGENVALUES . . . . . . . . . . . . . . . . . . . . . . . . 171 7.3 CORRELATIONS CONTRIBUTING TO THE DISCONTINUITY ACCORDING TO KOHNSHAM THEORY . . . . . . . . . . . . . . . . . . . . . . . . 174 7.4 QUANTAL DENSITY FUNCTIONAL THEORY OF THE DISCONTINUITY . . . . . 175 7.4.1 CORRELATIONS CONTRIBUTING TO THE DISCONTINUITY ACCORDING TO QDFT: ANALYTICAL PROOF . . . . . . . . . . . . . 177 7.4.2 NUMERICAL EXAMPLES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 180 7.5 ENDNOTE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 186 8. FURTHER INSIGHTS DERIVED VIA QUANTAL DENSITY FUNCTIONAL THEORY . . . . . . . . . . 187 8.1 THE LOCAL DENSITY APPROXIMATION IN KOHNSHAM THEORY . . . 189 8.1.1 DERIVATION AND INTERPRETATION OF ELECTRON CORRELATIONS VIA KOHNSHAM THEORY. . . . . . . . . . . . . . . . . . . . . . . . . . . 189 8.1.2 DERIVATION AND INTERPRETATION OF ELECTRON CORRELATIONS VIA QUANTAL DENSITY FUNCTIONAL THEORY . . . . . . . . . . . . . 192 8.1.3 STRUCTURE OF THE FERMI HOLE IN THE LOCAL DENSITY APPROXIMATION . . . . . . . . . . . . . . . . 198 8.1.4 ENDNOTE. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 203 8.2 SLATER THEORY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 205 8.2.1 DERIVATION OF THE EXACT SLATER POTENTIAL . . . . . . . . . . . . 205 8.2.2 WHY THE SLATER EXCHANGE POTENTIAL DOES NOT REPRESENT THE POTENTIAL ENERGY OF AN ELECTRON . . . . . . . 208 8.2.3 CORRECTLY ACCOUNTING FOR THE DYNAMIC NATURE OF THE FERMI HOLE. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 210 8.2.4 THE LOCAL DENSITY APPROXIMATION IN SLATER THEORY . . . 212 CONTENTS XIII 9. EPILOGUE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 215 9.1 ASYMPTOTIC STRUCTURE OF THE ELECTRONINTERACTION POTENTIAL ENERGY IN THE CLASSICALLY FORBIDDEN REGION OF ATOMS AND METAL SURFACES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 216 9.1.1 ASYMPTOTIC STRUCTURE IN ATOMS . . . . . . . . . . . . . . . . . . . . 216 9.1.2 ASYMPTOTIC STRUCTURE AT METAL SURFACES . . . . . . . . . . . . . 217 APPENDICES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 221 A. PROOF OF THE PURE STATE DIFFERENTIAL VIRIAL THEOREM . . . . . . . . . 221 B. PROOF OF THE HARMONIC POTENTIAL THEOREM . . . . . . . . . . . . . . . . . 225 C. ANALYTICAL EXPRESSIONS FOR THE PROPERTIES OF THE GROUND AND FIRST EXCITED SINGLET STATES OF THE HOOKES ATOM . . . . . . . 227 C.1 GROUND STATE ( K =1 / 4) . . . . . . . . . . . . . . . . . . . . . . . . . . . 227 C.2 FIRST EXCITED SINGLET STATE ( K =0 . 144498; * = * K =0 . 381029) . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 232 D. DERIVATION OF THE KINETICENERGYDENSITY TENSOR FOR HOOKES ATOM IN ITS GROUND STATE . . . . . . . . . . . . . . . . . . . . . 236 E. PROOF OF THE S SYSTEM DIFFERENTIAL VIRIAL THEOREM . . . . . . . . . . 238 F. DERIVATION OF THE PAIRCORRELATION DENSITY IN THE LOCAL DENSITY APPROXIMATION FOR EXCHANGE . . . . . . . . . . 240 REFERENCES . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 245 INDEX . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 253
any_adam_object	1
author	Sahni, Viraht 1944-
author_GND	(DE-588)12875642X
author_facet	Sahni, Viraht 1944-
author_role	aut
author_sort	Sahni, Viraht 1944-
author_variant	v s vs
building	Verbundindex
bvnumber	BV017491689
callnumber-first	Q - Science
callnumber-label	QC20
callnumber-raw	QC20.7.D43
callnumber-search	QC20.7.D43
callnumber-sort	QC 220.7 D43
callnumber-subject	QC - Physics
classification_rvk	UK 2000 UN 1555
classification_tum	PHY 026f
ctrlnum	(OCoLC)52819735 (DE-599)BVBBV017491689
dewey-full	530.12
dewey-hundreds	500 - Natural sciences and mathematics
dewey-ones	530 - Physics
dewey-raw	530.12
dewey-search	530.12
dewey-sort	3530.12
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>01821nam a2200481 c 4500</leader><controlfield tag="001">BV017491689</controlfield><controlfield tag="003">DE-604</controlfield><controlfield tag="005">20040514 </controlfield><controlfield tag="007">t</controlfield><controlfield tag="008">030909s2004 gw d\|\|\| \|\|\|\| 00\|\|\| ger d</controlfield><datafield tag="016" ind1="7" ind2=" "><subfield code="a">968667864</subfield><subfield code="2">DE-101</subfield></datafield><datafield tag="020" ind1=" " ind2=" "><subfield code="a">3540408843</subfield><subfield code="9">3-540-40884-3</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(OCoLC)52819735</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-599)BVBBV017491689</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">ger</subfield></datafield><datafield tag="044" ind1=" " ind2=" "><subfield code="a">gw</subfield><subfield code="c">DE</subfield></datafield><datafield tag="049" ind1=" " ind2=" "><subfield code="a">DE-91G</subfield><subfield code="a">DE-703</subfield><subfield code="a">DE-11</subfield></datafield><datafield tag="050" ind1=" " ind2="0"><subfield code="a">QC20.7.D43</subfield></datafield><datafield tag="082" ind1="0" ind2=" "><subfield code="a">530.12</subfield><subfield code="2">22</subfield></datafield><datafield tag="084" ind1=" " ind2=" "><subfield code="a">UK 2000</subfield><subfield code="0">(DE-625)145798:</subfield><subfield code="2">rvk</subfield></datafield><datafield tag="084" ind1=" " ind2=" "><subfield code="a">UN 1555</subfield><subfield code="0">(DE-625)145936:</subfield><subfield code="2">rvk</subfield></datafield><datafield tag="084" ind1=" " ind2=" "><subfield code="a">PHY 026f</subfield><subfield code="2">stub</subfield></datafield><datafield tag="100" ind1="1" ind2=" "><subfield code="a">Sahni, Viraht</subfield><subfield code="d">1944-</subfield><subfield code="e">Verfasser</subfield><subfield code="0">(DE-588)12875642X</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Quantal density functional theory</subfield><subfield code="c">Viraht Sahni</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="a">Berlin [u.a.]</subfield><subfield code="b">Springer</subfield><subfield code="c">2004</subfield></datafield><datafield tag="300" ind1=" " ind2=" "><subfield code="a">XIII, 256 S.</subfield><subfield code="b">graph. Darst. : 24 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="0" ind2=" "><subfield code="a">Physics and astronomy online library</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Quantentheorie</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Density functionals</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Quantum theory</subfield></datafield><datafield tag="650" ind1="0" ind2="7"><subfield code="a">Quantenmechanisches System</subfield><subfield code="0">(DE-588)4300046-0</subfield><subfield code="2">gnd</subfield><subfield code="9">rswk-swf</subfield></datafield><datafield tag="650" ind1="0" ind2="7"><subfield code="a">Elektronenkorrelation</subfield><subfield code="0">(DE-588)4210527-4</subfield><subfield code="2">gnd</subfield><subfield code="9">rswk-swf</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="689" ind1="0" ind2="0"><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="1"><subfield code="a">Quantenmechanisches System</subfield><subfield code="0">(DE-588)4300046-0</subfield><subfield code="D">s</subfield></datafield><datafield tag="689" ind1="0" ind2="2"><subfield code="a">Elektronenkorrelation</subfield><subfield code="0">(DE-588)4210527-4</subfield><subfield code="D">s</subfield></datafield><datafield tag="689" ind1="0" ind2=" "><subfield code="5">DE-604</subfield></datafield><datafield tag="856" ind1="4" ind2="2"><subfield code="m">SWB 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=010537602&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA</subfield><subfield code="3">Inhaltsverzeichnis</subfield></datafield><datafield tag="999" ind1=" " ind2=" "><subfield code="a">oai:aleph.bib-bvb.de:BVB01-010537602</subfield></datafield></record></collection>
id	DE-604.BV017491689
illustrated	Illustrated
indexdate	2024-07-09T19:18:41Z
institution	BVB
isbn	3540408843
language	German
oai_aleph_id	oai:aleph.bib-bvb.de:BVB01-010537602
oclc_num	52819735
open_access_boolean
owner	DE-91G DE-BY-TUM DE-703 DE-11
owner_facet	DE-91G DE-BY-TUM DE-703 DE-11
physical	XIII, 256 S. graph. Darst. : 24 cm
publishDate	2004
publishDateSearch	2004
publishDateSort	2004
publisher	Springer
record_format	marc
series2	Physics and astronomy online library
spelling	Sahni, Viraht 1944- Verfasser (DE-588)12875642X aut Quantal density functional theory Viraht Sahni Berlin [u.a.] Springer 2004 XIII, 256 S. graph. Darst. : 24 cm txt rdacontent n rdamedia nc rdacarrier Physics and astronomy online library Quantentheorie Density functionals Quantum theory Quantenmechanisches System (DE-588)4300046-0 gnd rswk-swf Elektronenkorrelation (DE-588)4210527-4 gnd rswk-swf Dichtefunktionalformalismus (DE-588)4258514-4 gnd rswk-swf Dichtefunktionalformalismus (DE-588)4258514-4 s Quantenmechanisches System (DE-588)4300046-0 s Elektronenkorrelation (DE-588)4210527-4 s DE-604 SWB Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=010537602&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis
spellingShingle	Sahni, Viraht 1944- Quantal density functional theory Quantentheorie Density functionals Quantum theory Quantenmechanisches System (DE-588)4300046-0 gnd Elektronenkorrelation (DE-588)4210527-4 gnd Dichtefunktionalformalismus (DE-588)4258514-4 gnd
subject_GND	(DE-588)4300046-0 (DE-588)4210527-4 (DE-588)4258514-4
title	Quantal density functional theory
title_auth	Quantal density functional theory
title_exact_search	Quantal density functional theory
title_full	Quantal density functional theory Viraht Sahni
title_fullStr	Quantal density functional theory Viraht Sahni
title_full_unstemmed	Quantal density functional theory Viraht Sahni
title_short	Quantal density functional theory
title_sort	quantal density functional theory
topic	Quantentheorie Density functionals Quantum theory Quantenmechanisches System (DE-588)4300046-0 gnd Elektronenkorrelation (DE-588)4210527-4 gnd Dichtefunktionalformalismus (DE-588)4258514-4 gnd
topic_facet	Quantentheorie Density functionals Quantum theory Quantenmechanisches System Elektronenkorrelation Dichtefunktionalformalismus
url	http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=010537602&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA
work_keys_str_mv	AT sahniviraht quantaldensityfunctionaltheory

Verfügbarkeit

Es ist kein Print-Exemplar vorhanden.

Fernleihe Bestellen Achtung: Nicht im THWS-Bestand! Inhaltsverzeichnis

MARC

Datensatz im Suchindex

Es ist kein Print-Exemplar vorhanden.

Ähnliche Einträge