Estimation of dipole-quadrupole dispersion energies

Abstract

The calculation of the dipole‐quadrupole dispersion coefficient is discussed through a perturbation and a variation method. Accurate combination rules are obtained from both methods, one new and one already known. Further approximations permit computations in terms of accessible parameters. Values are calculated for the interactions of atomic pairs formed from hydrogen, alkali, and rare‐gas atoms. A new relation giving the dipole‐quadrupole coefficient in terms of the dipole‐dipole coefficient and the dipole and quadrupole polarizabilities seems accurate, but needs further testing.