DFT Kohn-Sham (1965)

Layer 1 — Physicsin the chemical-physics subtree

Hohenberg-Kohn 1964 + Kohn-Sham 1965 (Nobel 1998): density-based reformulation; non-interacting reference system + exchange-correlation functional; modern B3LYP / HSE06 / PBE.

Related concepts

Schrödinger equation
Fokker-Planck density evolution

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