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LDA and GGA investigations of some ground state properties of aluminium with the all electron MAPW method

โœ Scribed by H. Bross


Book ID
111620987
Publisher
Springer
Year
2003
Tongue
English
Weight
199 KB
Volume
37
Category
Article
ISSN
1434-6036

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Investigation of Some Ground State Prope
โœ H. Bross ๐Ÿ“‚ Article ๐Ÿ“… 2002 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 149 KB ๐Ÿ‘ 2 views

The electronic structure of lithium is evaluated by use of the LDA-MAPW self-consistent scheme and sophisticated exchange correlation functionals. From the volume dependence of the total energy the equilibrium lattice parameter, the bulk modulus, and the cohesion energy are derived. Various magnitud