A factorizable formulation of tight binding (Q1122971)
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scientific article; zbMATH DE number 4108121
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| English | A factorizable formulation of tight binding |
scientific article; zbMATH DE number 4108121 |
Statements
A factorizable formulation of tight binding (English)
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1989
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A factorized tight binding formulation is presented. This formalism employs a novel computational strategy which greatly reduces the computing time and the data to be stored. A family of programs has been developed. These programs are general in nature but are particularly suited for investigation of the electronic structure of surfaces and interfaces. Numerical examples are enclosed.
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factorizable formulation
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electronic band structure of crystalline materials
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multicenter integrals
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supercell calculations
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tight binding
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Numerical examples
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0.695997953414917
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0.6897749900817871
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0.6748113632202148
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0.6691827774047852
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0.6689669489860535
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