Electric Dipole Polarizabilities and Dipole Shielding Factors of Neon, Magnesium and Argon Atoms from the Hartree-Fock Wave Functions

Shobu Kaneko, Shigeru Arai

Journal of the Physical Society of Japan · 1969 · 42 citations · 14 references

Concepts

Abstract

Simultaneous integro-differential equations which are derived by the coupled Hartree-Fock approximation are solved self-consistently. By use of the solutions, the dipole polarizabilities and the shielding factors of Ne, Mg and Ar atoms are calculated. The obtained values of the polarizability of these atoms are 0.3494 Å 3 , 12.04 Å 3 and 1.570 Å 3 respectively (experimental values are 0.395 Å 3 , 7.0±1.8∼7.4±1.8 Å 3 and 1.642 Å 3 respectively). The dipole shielding factors of these atoms are 0.9994, 1.002 and 1.014 respectively, and agree with the exact theoretical value 1.0 within 1%.

References

14