Kohn & Sham: making density-functional calculations practical

What changed

Developed self-consistent equations that organize electronic-structure calculations around an effective single-particle system.

Scientific scope

Developed self-consistent equations that organize electronic-structure calculations around an effective single-particle system. Scope limitation: This computational construction builds on the separately recorded density theorem. Approximate functionals limit practical predictions.

Evidence

Assessment uses the catalogue-linked source evidence for the stated contribution. This computational construction builds on the separately recorded density theorem. Approximate functionals limit practical predictions.

Contributors

• W. Kohn · SCIENCE: Named source contributor; exact labor shares are not measured.
• L. J. Sham · SCIENCE: Named source contributor; exact labor shares are not measured.

• Self-Consistent Equations Including Exchange and Correlation Effects
• Self-Consistent Equations Including Exchange and Correlation Effects — deposited bibliography

Provisional WRS assessment, edition 2026-10-16.1. Independent expert calibration is pending. This grade does not certify correctness or assign ownership.

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