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Source vocabulary: ID4
Other definitions for density functional theory (dft)
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Definition 3

density functional theory (dft)

https://w3id.org/matsci-sam/vocabulary/id4/density_functional_theory_dft/definitions/3/revisions/1
Definition

Density functional theory (DFT) is a computational modeling method that uses electron density as the fundamental variable to approximate the ground-state electronic structure of many-body systems, replacing the complex many-electron wavefunction with a functional of the density to simplify the solution of the Schrödinger equation.

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Density functional theory (DFT) is a computational Added: modeling method that uRemoved: tilizAdded: ses electron Removed: charge densitiesAdded: density as the fundamental variable to approximate the ground-state electronic structure Removed: and properties of materials, bypassing the explicitAdded: of many-body systems, replacing the complex many-electron wavefunction with a functional of the density to simplify the solution of the Removed: many-body Schrödinger equation.

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  1. Revision 1CurrentAI-assisted contributiongemma4:26bscore 0

    AI-assisted suggested revision

    Christopher RauchSep 8, 2026

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