Similar to 国際量子分子科学アカデミー

CHELPG

DIIS

Gaussian (software)

International Journal of Quantum Chemistry

Linear combination of atomic orbitals

ONIOM

QM/MM

STO-nG basis sets

Quantum ESPRESSO

Vienna Ab initio Simulation Package

Generalized valence bond

Energy level

Size consistency and size extensivity

Orbital-free density functional theory

Car–Parrinello method

Gaussian orbital

Chemical bond

Diffusion Monte Carlo

Orbital overlap

Kasha's rule

Complete active space

Complete active space perturbation theory

Basis set superposition error

Basis set (chemistry)