Optimized Lcao Method and the Electronic Structure of Extended Systems
| AUTHOR | Eschrig, Helmut |
| PUBLISHER | Springer (12/06/2012) |
| PRODUCT TYPE | Paperback (Paperback) |
Description
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.
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Product Format
Product Details
ISBN-13:
9783662025642
ISBN-10:
3662025647
Binding:
Paperback or Softback (Trade Paperback (Us))
Content Language:
English
More Product Details
Page Count:
221
Carton Quantity:
17
Product Dimensions:
6.69 x 0.47 x 9.61 inches
Weight:
0.80 pound(s)
Country of Origin:
NL
Subject Information
BISAC Categories
Science | Physics - Atomic & Molecular
Science | Physics - Condensed Matter
Science | Physics - Mathematical & Computational
Dewey Decimal:
530.1
Descriptions, Reviews, Etc.
publisher marketing
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.
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