Self-consistent finite-difference electronic structure calculations (Q5938238): Difference between revisions

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Latest revision as of 10:21, 30 July 2024

scientific article; zbMATH DE number 1621656
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Self-consistent finite-difference electronic structure calculations
scientific article; zbMATH DE number 1621656

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    Self-consistent finite-difference electronic structure calculations (English)
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    18 July 2001
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    This paper concerns a fully self-consistent method of solving the time-independent Schrödinger equation to find the electronic structure of materials. A finite difference grid, which has the flexibility to cope with difficult geometry is used.
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    finite difference methods
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    multigrid method
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    time-independent Schrödinger equation
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    electronic structure of materials
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