Jump to ContentJump to Main Navigation
Interatomic Forces in Condensed Matter$
Users without a subscription are not able to see the full content.

Mike Finnis

Print publication date: 2003

Print ISBN-13: 9780198509776

Published to Oxford Scholarship Online: January 2010

DOI: 10.1093/acprof:oso/9780198509776.001.0001

Show Summary Details
Page of

PRINTED FROM OXFORD SCHOLARSHIP ONLINE (oxford.universitypressscholarship.com). (c) Copyright Oxford University Press, 2021. All Rights Reserved. An individual user may print out a PDF of a single chapter of a monograph in OSO for personal use. date: 23 January 2022

Pairwise potentials in simple metals

Pairwise potentials in simple metals

Chapter:
(p.158) 6 PAIRWISE POTENTIALS IN SIMPLE METALS
Source:
Interatomic Forces in Condensed Matter
Author(s):

Mike Finnis

Publisher:
Oxford University Press
DOI:10.1093/acprof:oso/9780198509776.003.0006

This chapter shows how pairwise potentials for simple, s-p bonded metals, can be derived from first-principles. The starting point is jellium, and the ions are specified as pseudopotentials, local or non-local. The application of perturbation theory to second order in the pseudopotentials leads to the energy in the form of a density dependent, structure independent term plus a sum of density dependent, pairwise interactions between the ions. With the help of the Hellmann–Feynman theorem a simple physical interpretation is given in terms of interacting, spherically-symmetric pseudoatpms. A simple example using the Ashcroft empty core pseudopotential and the Thomas–Fermi approximation is worked through to illustrate the concepts. The use of a local density as a parameter within the pair potential is discussed.

Keywords:   pairwise potentials, simple metals, pseudopotentials, local density

Oxford Scholarship Online requires a subscription or purchase to access the full text of books within the service. Public users can however freely search the site and view the abstracts and keywords for each book and chapter.

Please, subscribe or login to access full text content.

If you think you should have access to this title, please contact your librarian.

To troubleshoot, please check our FAQs , and if you can't find the answer there, please contact us .