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Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials

  • Cesare Pisani

Part of the Lecture Notes in Chemistry book series (LNC, volume 67)

Table of contents

About this book

Introduction

A number of general-purpose, reasonably accurate and well-tested ab-initio codes for crystals are discussed in this book. The aim is to expand competence of their application in material sciences and solid-state physics. The book addresses particularly readers with a general knowledge in quantum chemistry and intends to give a deeper insight into the special algorithms and computational techniques in ab-initio computer codes for crystals. Three different programs which are available to all interested potential users on request are presented.

Keywords

Crystalline Materials Festkörperphysik Kristalline Stoffe Materialwissenschaften Quantenmechanik Quantum Mechanics Solid State chemistry computational chemistry dynamics materials science mechanics solid state physics surfaces

Editors and affiliations

  • Cesare Pisani
    • 1
  1. 1.Department of Inorganic, Physical and Materials ChemistryUniversity of TorinoTorinoItaly

Bibliographic information

  • DOI https://doi.org/10.1007/978-3-642-61478-1
  • Copyright Information Springer-Verlag Berlin Heidelberg 1996
  • Publisher Name Springer, Berlin, Heidelberg
  • eBook Packages Springer Book Archive
  • Print ISBN 978-3-540-61645-0
  • Online ISBN 978-3-642-61478-1
  • Series Print ISSN 0342-4901
  • Series Online ISSN 2192-6603
  • Buy this book on publisher's site