Similar to 電子雲

Effective mass (solid-state physics)

Positron

Electron excitation

Quantum chemistry

CHELPG

DIIS

Gaussian (software)

International Journal of Quantum Chemistry

Linear combination of atomic orbitals

ONIOM

QM/MM

RRKM theory

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