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.
General
Is the information for this product incomplete, wrong or inappropriate?
Let us know about it.
Does this product have an incorrect or missing image?
Send us a new image.
Is this product missing categories?
Add more categories.
Review This Product
No reviews yet - be the first to create one!
Welcome to Loot.co.za!
Sign in / Register |Wishlists & Gift Vouchers |Help | Advanced search
