Similar to 分子軌道

10

11 (number)

12 (number)

13 (number)

19 (number)

40 (number)

70 (number)

100

400 (number)

700 (number)

1000 (number)

S-orbital

P-orbital

Electron configuration

Gaussian (software)

HOMO and LUMO

Linear combination of atomic orbitals

STO-nG basis sets

Quantum ESPRESSO

Vienna Ab initio Simulation Package

Gaussian orbital

Extended Hückel method

Localized molecular orbitals

Atomic orbital

Orbital hybridisation

Slater-type orbital

Hartree–Fock method