Springer
Optimized Lcao Method and the Electronic Structure of Extended Systems
Product Code:
9783662025642
ISBN13:
9783662025642
Condition:
New
$61.47
Optimized Lcao Method and the Electronic Structure of Extended Systems
$61.47
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.
| Author: Helmut Eschrig |
| Publisher: Springer |
| Publication Date: Dec 06, 2012 |
| Number of Pages: 221 pages |
| Binding: Paperback or Softback |
| ISBN-10: 3662025647 |
| ISBN-13: 9783662025642 |
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