An implementation of the atoms in molecules theory to the FPLAPW method (Q1348048)
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scientific article; zbMATH DE number 1741637
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| English | An implementation of the atoms in molecules theory to the FPLAPW method |
scientific article; zbMATH DE number 1741637 |
Statements
An implementation of the atoms in molecules theory to the FPLAPW method (English)
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15 May 2002
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topology of the electronic charge density
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electronic density
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bond paths
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crystal graphs
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interatomic surfaces
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atomic basins
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atomic properties
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full-potential linearized augmented-plane wave method
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electronic density of crystals and surfaces
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density functional theory
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0.7028968334197998
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0.6913366317749023
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0.6899042725563049
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0.6690192222595215
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0.6678520441055298
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