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DeCS
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Descriptor English:
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Density Functional Theory
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Descriptor Spanish:
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Teorķa Funcional de la Densidad
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Descriptor Portuguese:
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Teoria da Densidade Funcional
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Synonyms English:
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DFT Calculation
DFT Calculations
Density Functional Theories
KS-DFT
Kohn Sham Density Functional Theory
Kohn-Sham Density Functional Theory
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Tree Number:
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H01.671.579.800.500
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Definition English:
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Density functional theory is an approach to describe the electronic ground state properties of matter. It is a method of obtaining a solution to the Schrodinger equation for a many-body system, and is used to investigate the structural, magnetic, and electronic properties of molecules and materials. |
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History Note English:
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2019
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Allowable Qualifiers English:
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Record Number:
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57605
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Unique Identifier:
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D000077318
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Occurrence in VHL:
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Similar:
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DeCS
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