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Optimized Lcao Method: And the Electronic Structure of Extended Systems
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Optimized Lcao Method: And the Electronic Structure of Extended Systems Hardback - 1989 - 1st Edition

by Helmut Eschrig; H. Eschrig

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From the publisher

Theoretical and numerical details of an optimized LCAO (linear combination of atomic orbitals) method for the calculation of self-consistent bandstructures are given together with a variety of examples. The method will be a valuable tool both for researchers engaged in calculations and for scientists looking for numerical results of self-consistent bandstructure calculations. The presentation starts with an introduction to the modern many-body theory of electronic bandstructure. The essentials of the representation with a non-orthogonal basis and the usual tight-binding variants are critically reviewed. A variational approach to the optimization of atom-like basis orbitals is described together with an SCF procedure for band calculations. Complete numerical and graphic results for all elementary metals from lithium to zinc are given.

Details

  • Title Optimized Lcao Method: And the Electronic Structure of Extended Systems
  • Author Helmut Eschrig; H. Eschrig
  • Binding Hardback
  • Edition number 1st
  • Edition 1
  • Pages 221
  • Volumes 1
  • Language ENG
  • Publisher Springer
  • Publication date 1989
  • Illustrated Yes
  • ISBN 9783540507406 / 354050740X
  • Category Science
  • Library of Congress subjects Molecular orbitals, Electronic structure
  • Library of Congress Catalogue Number 88037563
  • Dewey Decimal Code 530.41

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OPTIMIZED LCAO METHOD: AND THE ELECTRONIC STRUCTURE OF EXTENDED SYSTEMS (RESEARCH REPORTS IN...
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OPTIMIZED LCAO METHOD: AND THE ELECTRONIC STRUCTURE OF EXTENDED SYSTEMS (RESEARCH REPORTS IN PHYSICS)

by ESCHRIG, HELMUT

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ISBN 10 / ISBN 13
9783540507406 / 354050740x
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Item price
A$106.65
A$18.44 Delivery to USA