Similar to オービタルフリー密度汎関数理論

Unrestricted Hartree–Fock

Hückel method

Fukui function

Fragment molecular orbital

Molecular orbital theory

Post–Hartree–Fock

Møller–Plesset perturbation theory

List of quantum chemistry and solid-state physics software

Quantum chemistry

CHELPG

DIIS

International Journal of Quantum Chemistry

Linear combination of atomic orbitals

RRKM theory

STO-nG basis sets

Ionization energy

Generalized valence bond

Energy level

Size consistency and size extensivity

Car–Parrinello method

Chemical bond

Orbital overlap

Kasha's rule

Complete active space

Tight binding