Electronic Structure Basic Theory and Practical Methods

Name: Electronic Structure Basic Theory and Practical Methods
Availability: OutOfStock
ISBN: 9780521534406

ISBN-10: 0521534402

ISBN-13: 9780521534406

Edition: N/A

Authors: Richard M. Martin

List price: $70.99

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Description:

The study of the electronic structure of materials is at a momentous stage, with the emergence of new computational methods and theoretical approaches. This volume provides an introduction to the field and describes its conceptual framework, the capabilities of present methods, limitations, and challenges for the future. Many properties of materials can now be determined directly from the fundamental equations of quantum mechanics, bringing new insights into critical problems in physics, chemistry, and materials science.

Book details

List price: $70.99
Publisher: Cambridge University Press
Publication date: 10/23/2008
Binding: Paperback
Pages: 650
Size: 6.85" wide x 9.72" long x 1.18" tall
Weight: 2.794
Language: English

Richard Martin is Professor of Physics at the University of Illinois at Urbana-Champaign. He is a recipient of the Alexander von Humboldt Senior Scientist Award, and is a fellow of the American Physical Society (APS) and the American Association for the Advancement of Science. He has served on several editorial boards of the APS, including Physical Review and Physical Review Letters, and Reviews of Modern Physics where he was associate editor for condensed matter theory.



Preface


Acknowledgements


Notation



Overview and Background Topics



Introduction



Overview



Theoretical background



Periodic solids and electron bands



Uniform electron gas and simple metals



Density Functional Theory



Density functional theory: foundations



The Kohn-Sham ansatz



Functionals for exchange and correlation



Solving the Kohn-Sham equations



Important Preliminaries on Atoms



Electronic structure of atoms



Pseudopotentials



Determination of Electronic Structure, The Three Basic Methods



Plane waves and grids: basics



Plane waves and grids: full calculations



Localized orbitals: tight binding



Localized orbitals: full calculations



Augmented functions: APW, KKR, MTO



Augmented functions: linear methods



Predicting Properties of Matter from Electronic Structure - Recent Developments



Quantum molecular dynamics (QMD)



Response functions: photons, magnons ...



Excitation spectra and optical properties



Wannier functions



Polarization, localization and Berry's phases



Locality and linear scaling O (N) methods



Where to find more


Appendixes


References


Index