Gauge-invariant calculation of the magnetic susceptibility of the hydrogen molecule
- 1 May 1981
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 23 (5) , 2099-2105
- https://doi.org/10.1103/physreva.23.2099
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 . A variational calculation using a zero-field orbital of Coulson then yields /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 and that compare well with experiment.
Keywords
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