TY  - BOOK
AU  - Eschrig,Helmut
TI  - Optimized LCAO Method and the Electronic Structure of Extended Systems
SN  - 9783112483459
PY  - 2022///]
CY  - Berlin, Boston : 
PB  - De Gruyter, 
KW  - SCIENCE / General
KW  - bisacsh
N1  - 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; restricted access; Issued also in print
UR  - https://doi.org/10.1515/9783112483466
UR  - https://www.degruyter.com/isbn/9783112483466
UR  - https://www.degruyter.com/document/cover/isbn/9783112483466/original
ER  -