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Item Details
| Title:
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OPTIMIZED LCAO METHOD AND THE ELECTRONIC STRUCTURE OF EXTENDED SYSTEMS
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| By: |
Helmut Eschrig |
| Format: |
Paperback |
| List price:
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£76.50 |
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We currently do not stock this item, please contact the publisher directly for
further information.
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| ISBN 10: |
3662025647 |
| ISBN 13: |
9783662025642 |
| Publisher: |
SPRINGER-VERLAG BERLIN AND HEIDELBERG GMBH & CO. KG |
| Pub. date: |
22 May, 1989 |
| Edition: |
Softcover reprint of the original 1st ed. 1989 |
| Series: |
Research Reports in Physics |
| Pages: |
221 |
| 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. |
| Illustrations: |
221 p. |
| Publication: |
Germany |
| Imprint: |
Springer-Verlag Berlin and Heidelberg GmbH & Co. K |
| Returns: |
Returnable |
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