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Combined representation method for use in band-structure calculations: Application to highly compressed hydrogen

โœ Scribed by Friedli, Carlos; Ashcroft, N. W.


Book ID
127363420
Publisher
The American Physical Society
Year
1977
Tongue
English
Weight
742 KB
Volume
16
Category
Article
ISSN
1098-0121

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In this work we present a method for performing LCAO (linear combination of atomic orbitals) band structure calculations (tight binding) in crystalline solids. In the first part of the article we apply group theoretical methods to the establishment of a least-squares scheme for the calculation of th