Anmerkungen:
In German
Mode of access: Internet via World Wide Web
Beschreibung:
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