M. Yoshimine
The Journal of Chemical Physics
Relationships betwen the diamagnetic susceptibility, diamagnetic anisotropy, rotational magnetic moment, molecular quadrupole moment, and computed expectation values of 〈r2〉, 〈p 2〉, 〈z2〉 for linear closed-shell molecules are given. A promising way of obtaining molecular quadrupole moments by combining theory and experiment is pointed out. Applications are made to H 2 and N2O. New results are that the sign of the rotational g factor for N2O is negative and the diamagnetic anisotropy of this molecule is -13×10-5a.u.