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Optimized LCAO Method and the Electronic Structure of Extended Systems
Helmut Eschrig
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Description for Optimized LCAO Method and the Electronic Structure of Extended Systems
Paperback. Series: Research Reports in Physics. Num Pages: 221 pages, biography. BIC Classification: PHFC; PHM; PHU. Category: (G) General (US: Trade). Dimension: 244 x 170 x 12. Weight in Grams: 394.
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 ... Read more
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 ... Read more
Product Details
Format
Paperback
Publication date
1989
Publisher
Springer-Verlag Berlin and Heidelberg GmbH & Co. KG Germany
Number of pages
221
Condition
New
Series
Research Reports in Physics
Number of Pages
221
Place of Publication
Berlin, Germany
ISBN
9783662025642
SKU
V9783662025642
Shipping Time
Usually ships in 15 to 20 working days
Ref
99-15
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