Octopole Moment of Methane

Abstract

The octopole moment of methane is calculated using three different LCAO—MO—SCF wavefunctions. The numerical method of calculation is illustrated. Results are compared with the experimental value of James and Keenan, as well as the theoretically computed value of Turner et al. who used the one‐center‐expansion‐method wavefunction of Saturno and Parr. A brief discussion of these different wavefunctions and the octopole moments obtained from them is given.