Optimized LCAO Method and the Electronic Structure of Extended Systems / Helmut Eschrig.

Format:

Book

Author/Creator:

Eschrig, Helmut, Author.

Language:

German

Physical Description:

1 online resource (228 p.) : 80 Figures

Edition:

Reprint 2021

Place of Publication:

Berlin ; Boston : De Gruyter, [2022]

Language Note:

In German.

Summary:

Keine ausführliche Beschreibung für "Optimized LCAO Method and the Electronic Structure of Extended Systems" verfügbar.

Contents:

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

Notes:

Description based on online resource; title from PDF title page (publisher's Web site, viewed 31. Jan 2022)

Description based on publisher supplied metadata and other sources.

ISBN:

9783112483466

3112483464

OCLC:

1294425137