Abstract
Components of the magnetizability of the B’ state of the hydrogen molecule have been calculated for a wide range of bond lengths. Explicitly correlated, ‘‘generalized James-Coolidge-type wave functions’’ were used. It is found that in the B’ state the molecular magnetizability is a positive quantity for bond lengths near equilibrium due to the mixing in of the nearby state by the magnetic field. As a result ‘‘van Vleck paramagnetism’’ exists in the lowest vibrational level of the B’ state. At larger bond lengths this mixing is reduced by increasing influence of the state. The crossing of the potential curves of B’ and C states produces the singularity point on the curve. As a result the paramagnetism disappears for higher vibrational states. The long-range parts of the components of the magnetizability of the a and B states of also have been calculated in order to study the asymptotic behavior of the magnetizability at large bond length.
- Received 30 August 1984
DOI:https://doi.org/10.1103/PhysRevA.31.2091
©1985 American Physical Society