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Tight Binding

Mike Finnis

in Interatomic Forces in Condensed Matter

Published in print:
2003
Published Online:
January 2010
ISBN:
9780198509776
eISBN:
9780191709180
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198509776.003.0007
Subject:
Physics, Atomic, Laser, and Optical Physics

This chapter derives tight-binding models from the Hohenberg–Kohn–Sham density functional theory of total energy. The approach taken is to expose the successive approximations that can be invoked, ... More


Interatomic Forces in Condensed Matter

Mike Finnis

Published in print:
2003
Published Online:
January 2010
ISBN:
9780198509776
eISBN:
9780191709180
Item type:
book
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780198509776.001.0001
Subject:
Physics, Atomic, Laser, and Optical Physics

There is a continuing growth of interest in the computer simulation of materials at the atomic scale, using a variety of academic and commercial computer programs. In all such programs there is some ... More


Making second quantization work

Tom Lancaster and Stephen J. Blundell

in Quantum Field Theory for the Gifted Amateur

Published in print:
2014
Published Online:
June 2014
ISBN:
9780199699322
eISBN:
9780191779435
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/acprof:oso/9780199699322.003.0005
Subject:
Physics, Particle Physics / Astrophysics / Cosmology

This chapter considers how to build single-particle operators out of creation and annihilation operators, and this already gives enough information to discuss the tight-binding model of solid state ... More


Approximate Molecular Orbital Theory: The Hückel/Tight-binding Model

Jochen Autschbach

in Quantum Theory for Chemical Applications: From Basic Concepts to Advanced Topics

Published in print:
2020
Published Online:
February 2021
ISBN:
9780190920807
eISBN:
9780197508350
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780190920807.003.0012
Subject:
Chemistry, Quantum and Theoretical Chemistry

Huckel molecular orbital (HMO) theory is a simple approximate parameterized molecular orbital (MO) theory that has been very successful in organic chemistry and other fields. This chapter introduces ... More


The band theory of solids

L. Solymar, D. Walsh, and R. R. A. Syms

in Electrical Properties of Materials

Published in print:
2018
Published Online:
October 2018
ISBN:
9780198829942
eISBN:
9780191868504
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780198829942.003.0007
Subject:
Physics, Condensed Matter Physics / Materials, Atomic, Laser, and Optical Physics

The solution of Schrodinger’s equation is discussed for a model in which atoms are represented by potential wells, from which the band structure follows. Three further models are discussed, the Ziman ... More


Diffraction on a Barrier

Klaus Morawetz

in Interacting Systems far from Equilibrium: Quantum Kinetic Theory

Published in print:
2017
Published Online:
February 2018
ISBN:
9780198797241
eISBN:
9780191838743
Item type:
chapter
Publisher:
Oxford University Press
DOI:
10.1093/oso/9780198797241.003.0016
Subject:
Physics, Condensed Matter Physics / Materials

The transport through a one-dimensional barrier is calculated within the tight-binding model. The surface Green’s functions are introduced as a method to invert the Green’s function matrix and to ... More


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