Gauge-invariant calculation of the magnetic susceptibility of the hydrogen molecule

Abstract
The perpendicular component of the magnetic susceptibility of the hydrogen molecule is calculated in a gauge-invariant manner. This is accomplished by implementing the approximation in which the induced current density is taken perpendicular to the uniform magnetic field when this field is along a principal axis of χαβ. A variational calculation using a zero-field orbital of Coulson then yields χ=4.107×106 cm3/mole. This value falls within the theoretical bounds determined by Rebane with a maximum error of less than one percent. The Coulson orbital gives results for χav and χχ that compare well with experiment.