Library Catalog
Amazon cover image
Image from Amazon.com

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

By: Material type: TextTextPublisher: Berlin ; Boston : De Gruyter, [2022]Copyright date: ©1988Edition: Reprint 2021Description: 1 online resource (228 p.) : 80 FiguresContent type:
Media type:
Carrier type:
ISBN:
  • 9783112483459
  • 9783112483466
Subject(s): Other classification:
  • online - DeGruyter
Online resources: Available additional physical forms:
  • Issued also in print.
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
Holdings
Item type Current library Call number URL Status Notes Barcode
eBook eBook Biblioteca "Angelicum" Pont. Univ. S.Tommaso d'Aquino Nuvola online online - DeGruyter (Browse shelf(Opens below)) Online access Not for loan (Accesso limitato) Accesso per gli utenti autorizzati / Access for authorized users (dgr)9783112483466

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 online access with authorization star

http://purl.org/coar/access_right/c_16ec

Issued also in print.

Mode of access: Internet via World Wide Web.

In German.

Description based on online resource; title from PDF title page (publisher's Web site, viewed 01. Dez 2022)