Voronoi-cell finite difference method for accurate electronic structure calculation of polyatomic molecules on unstructured grids (Q630463)
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scientific article; zbMATH DE number 5867134
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Voronoi-cell finite difference method for accurate electronic structure calculation of polyatomic molecules on unstructured grids |
scientific article; zbMATH DE number 5867134 |
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Voronoi-cell finite difference method for accurate electronic structure calculation of polyatomic molecules on unstructured grids (English)
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17 March 2011
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Voronoi-cell finite difference
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VFD
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Schrödinger equation
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numerical grid-based method
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density-functional theory
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DFT
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polyatomic molecules
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unstructured grids
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