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Entity
numerical atomic orbital basis
technology1 mentionslast seen Oct 7, 2026
A basis set for solving the Kohn-Sham equation constructed by contracting truncated spherical waves.
Relationships 5
- numerical atomic orbital basisdepends oncontracted truncated spherical wave95% confidence1 source
- numerical atomic orbital basisdepends ondensity-functional theory93% confidence1 source
- numerical atomic orbital basisdepends onKohn-Sham equation92% confidence1 source
- numerical atomic orbital basisapplies tocomputational materials simulation85% confidence1 source
- numerical atomic orbital basissupersedesspillage minimizing scheme70% confidence1 source
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