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Energy level

Shielding effect

Slater integrals

Slater's rules

Total angular momentum quantum number

Electron shell

Radial distribution function

Hund's rules

Landé interval rule

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

Ionization energy

Generalized valence bond

Size consistency and size extensivity