• Media type: E-Book
  • Title: Optimized LCAO Method and the Electronic Structure of Extended Systems
  • Contributor: Eschrig, Helmut [VerfasserIn]
  • imprint: Berlin; Boston: De Gruyter, [2022]
    [Online-Ausgabe]
  • Issue: Reprint 2021
  • Extent: 1 Online-Ressource (228 p); 80 Figures
  • Language: German
  • DOI: 10.1515/9783112483466
  • ISBN: 9783112483466
  • Identifier:
  • Keywords: SCIENCE / General
  • Type of reproduction: [Online-Ausgabe]
  • Origination:
  • Footnote: In German
    Mode of access: Internet via World Wide Web
  • Description: Frontmatter -- Preface -- CONTENT -- 1. INTRODUCTION -- 2. THE LCAO FORMALISM -- 3. OPTIMIZATION OF THE BASIS -- 4. WANNIER FUNCTIONS -- 5. THE LOCAL BASIS REPRESENTATIONS OF THE ELECTRON DENSITY -- 6. SIMPLEX METHOD FOR k-SPACE INTEGRATION IN d DIMENSIONS -- 7. POTENTIAL CONSTRUCTION AND ITERATION -- APPENDIX 1. SPHERICAL HARMONIC AND THEIR TRANFSORMATIONS -- APPENDIX 2. SOME USEFUL THEOREMS ON BASIS FUNCTION EXPANSIONS -- APPENDIX 3. RESULTS OF DFT-LCAO BAND STRUCTURE CALCULATIONS FOR ELEMENT METALS -- REFERENCES -- SUBJECT INDEX
  • Access State: Restricted Access | Information to licenced electronic resources of the SLUB