Theoretical and Mathematical Physics

Density Functional Theory

An Advanced Course

Authors: Engel, Eberhard, Dreizler, Reiner M.

  • Written by two well known experts in the field
  • Useful as advanced study text, self-study guide and reference regarding the fundamentals
  • Contains advanced-level material such as time-dependent and relativistic DFT
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About this book

Density Functional Theory (DFT) has firmly established itself as the workhorse for the atomic-level simulation of condensed matter phases, pure or composite materials and quantum chemical systems. The present book is a rigorous and detailed introduction to the foundations up to and including such advanced topics as orbital-dependent functionals and both time-dependent and relativistic DFT. Given the many ramifications of contemporary DFT, this text concentrates on the self-contained presentation of the basics of the most widely used DFT variants. This implies a thorough discussion of the corresponding existence theorems and effective single particle equations, as well as of key approximations utilized in implementations. The formal results are complemented by selected quantitative results, which primarily aim at illustrating strengths and weaknesses of a particular approach or functional. DFT for superconducting or nuclear and hadronic systems are not addressed in this work. The structure and material contained in this book allow for a tutorial and modular self-study approach: the reader will find that all concepts of many-body theory which are indispensable for the discussion of DFT - such as the single-particle Green’s function or response functions - are introduced step by step, rather than just used. The same applies to some basic notions of solid state theory, as, for instance, the Fermi surface. Also, the language of second quantization is introduced systematically in an Appendix for readers without a formal theoretical physics background.

Reviews

From the reviews:

“This book is an introduction to density functional theory (DFT) … . The presentation is … aimed at a general scientific audience (physics, chemistry, etc.). … There are … many interesting choices in the covered topics. … Several appendices help in making the book self-contained.” (Gabriel Stoltz, Mathematical Reviews, Issue 2011 m)

“The book is remarkable for a down-to-earth exposition of DFT that makes it accessible for students specialized in different fields of theoretical physics. … The book may be useful both for beginners as an introduction to DFT and for specialists who would like to expand their view on rigorous foundations of this theory and to keep an eye on the cutting edge of computational methods in condense matter physics.” (Peter Kazinski, Zentralblatt MATH, Vol. 1216, 2011)


Table of contents (11 chapters)

  • Introduction

    Engel, Eberhard (et al.)

    Pages 1-9

  • Foundations of Density Functional Theory: Existence Theorems

    Engel, Eberhard (et al.)

    Pages 11-56

  • Effective Single-Particle Equations

    Engel, Eberhard (et al.)

    Pages 57-108

  • Exchange-Correlation Energy Functional

    Engel, Eberhard (et al.)

    Pages 109-217

  • Virial Theorems

    Engel, Eberhard (et al.)

    Pages 219-226

Buy this book

eBook $99.00
price for USA (gross)
  • ISBN 978-3-642-14090-7
  • Digitally watermarked, DRM-free
  • Included format: PDF
  • ebooks can be used on all reading devices
  • Immediate eBook download after purchase
Hardcover $129.00
price for USA
  • ISBN 978-3-642-14089-1
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Softcover $129.00
price for USA
  • ISBN 978-3-642-26718-5
  • Free shipping for individuals worldwide
  • Usually dispatched within 3 to 5 business days.
Rent the ebook  
  • Rental duration: 1 or 6 month
  • low-cost access
  • online reader with highlighting and note-making option
  • can be used across all devices
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Bibliographic Information

Bibliographic Information
Book Title
Density Functional Theory
Book Subtitle
An Advanced Course
Authors
Series Title
Theoretical and Mathematical Physics
Copyright
2011
Publisher
Springer-Verlag Berlin Heidelberg
Copyright Holder
Springer-Verlag Berlin Heidelberg
eBook ISBN
978-3-642-14090-7
DOI
10.1007/978-3-642-14090-7
Hardcover ISBN
978-3-642-14089-1
Softcover ISBN
978-3-642-26718-5
Series ISSN
1864-5879
Edition Number
1
Number of Pages
XV, 531
Number of Illustrations and Tables
5 b/w illustrations
Topics