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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 (Paperback)

£69.99
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Synopsis

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.

Science & MathematicsChemistryInorganic chemistryScience & MathematicsPhysicsAtomic & molecular physicsScience & MathematicsPhysicsMathematical physicsScience & MathematicsPhysicsStates of matterCondensed matter physics incl liquid state & solid state physics Publisher: Springer-Verlag Berlin and Heidelberg GmbH & Co. KG Publication Date: 22/05/1989 ISBN-13: 9783662025642  Details: Type: Paperback Format: Books
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