Similar to 非制限ハートリー＝フォック法

Frontier molecular orbital theory

Molecular orbital diagram

Roothaan equations

ONIOM

Energy level

Size consistency and size extensivity

Orbital-free density functional theory

Diffusion Monte Carlo

Complete active space perturbation theory

Basis set superposition error

Pseudopotential

Tight binding

VSEPR theory

Modern valence bond theory

Kohn–Sham equations

Hybrid functionals

Spin contamination

Slater–Condon rules

Electron localization function

Isoelectronicity

Fukui function

Brillouin's theorem

Post–Hartree–Fock

Density functional theory

Morse potential