Interatomic Forces in Condensed Matter

There is a continuing growth of interest in the computer simulation of materials at the atomic scale, using academic and commercial computer programs. Such programs work with very diverse models of the inter-atomic forces. This book explains how these are constructed, their scientific basis, and the approximations that are made in deriving them.

List of contents

• I: The framework


• 1: Essential quantum mechanics


• 2: Essential density functional theory


• 3: Exploiting the variational principle


• 4: Linear response theory


• II: Modelling atoms within solids


• 5: Testing an interatomic force model


• 6: Pairwise potentials in simple metals


• 7: Tight binding


• 8: Hybrid schemes


• 9: Ionic models

About the author

Mike Finnis is a Fellow of the Institute of Physics and a Member of the Editorial Board of Reports on Progress in Physics.

Summary

There is a continuing growth of interest in the computer simulation of materials at the atomic scale, using academic and commercial computer programs. Such programs work with very diverse models of the inter-atomic forces. This book explains how these are constructed, their scientific basis, and the approximations that are made in deriving them.

Product details

• Authors: Mike Finnis, Mike ( Finnis, Mike (Department of Pure and Applied Physics Finnis, Finnis Mike
• Publisher: Oxford University Press
• Languages: English
• Product format: Paperback / Softback
• Released: 11.06.2010
• EAN: 9780199588121
• ISBN: 978-0-19-958812-1
• No. of pages: 304
• Series: Oxford Series on Materials Modelling; Oxford Series on Materials Mod; Oxford Series on Materials Mod; Oxford Series on Materials Modelling; Oxford Materials Modelling
• Subjects: Natural sciences, medicine, IT, technology > Biology > Biochemistry, biophysics; SCIENCE / Physics / Quantum Theory, SCIENCE / Physics / Atomic & Molecular, SCIENCE / Physics / Condensed Matter, Quantum physics (quantum mechanics & quantum field theory), Quantum physics (quantum mechanics and quantum field theory), Materials science, Atomic & molecular physics, Atomic and Molecular Physics, TECHNOLOGY & ENGINEERING / Materials Science / General, 3D graphics and modelling