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The LMTO Method

Muffin-Tin Orbitals and Electronic Structure

  • Hans L. Skriver

Part of the Springer Series in Solid-State Sciences book series (SSSOL, volume 41)

Table of contents

  1. Front Matter
    Pages I-IX
  2. Hans L. Skriver
    Pages 1-16
  3. Hans L. Skriver
    Pages 17-36
  4. Hans L. Skriver
    Pages 37-47
  5. Hans L. Skriver
    Pages 48-64
  6. Hans L. Skriver
    Pages 65-81
  7. Hans L. Skriver
    Pages 82-99
  8. Hans L. Skriver
    Pages 100-114
  9. Hans L. Skriver
    Pages 115-123
  10. Hans L. Skriver
    Pages 124-260
  11. Hans L. Skriver
    Pages 267-271
  12. Back Matter
    Pages 273-286

About this book

Introduction

The simplifications of band-structure calculations which are now referred to as linear methods were introduced by Ole K. Andersen almost ten years ago. Since then these ideas have been taken up by several workers in the field and translated into computer programmes that generate the band structure of almost any material. As a result, running times on computers have been cut by orders of magnitude. One of the strong motivations behind the original proposal was a desire to give the conventional methods' a physically meaningful content which could be understood even by the non-specialist. Unfortunately, this aspect of lin­ ear methods seems to have been less well appreciated, and most workers are content to use the latter as efficient computational schemes. The present book is intended to give a reasonably complete description of one particular linear method, the Linear Muffin-Tin Orbital (LMTO) method, without losing sight of the physical content of the technique. It is also meant as a guide to the non-specialist who wants to perform band-structure calculations of his own, for example, to interpret experimental results. For this purpose the book contains a set of computer programmes which allow the user to perform full-scale self-consistent band-structure calculations by means of the LMTO method. In addition, it contains a listing of self-con­ sistent potential parameters which, for instance, may be used to generate the energy bands of metallic elements.

Keywords

Elektronenstruktur LMTO-Methode band structure band theory electron energy experiment structure

Authors and affiliations

  • Hans L. Skriver
    • 1
  1. 1.FysikafdelingenForsögsanlag RisøRoskildeDenmark

Bibliographic information

  • DOI https://doi.org/10.1007/978-3-642-81844-8
  • Copyright Information Springer-Verlag Berlin Heidelberg 1984
  • Publisher Name Springer, Berlin, Heidelberg
  • eBook Packages Springer Book Archive
  • Print ISBN 978-3-642-81846-2
  • Online ISBN 978-3-642-81844-8
  • Series Print ISSN 0171-1873
  • Buy this book on publisher's site
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