Abstract
We discuss the symmetries, the behavior of the diabatic energy curves, as well as the static aspects of vibronic interaction for diatomic molecules in the presence of a strong magnetic field. Our central subject of investigation is the topology of the adiabatic electronic potential energy surfaces of diatomic molecules which are discussed using some selected examples of the surfaces of the H2+ ion. Global equilibrium configurations corresponding to stable molecular states are found both for the parallel as well as for the perpendicular configurations. For a higher degree of excitation, we observe that the global minimum can belong to the lowest possible symmetry of the ion in the presence of a magnetic field. As an example, we discuss the topology of the 3u potential energy surface. © 1997 John Wiley & Sons, Inc. Int J Quant Chem 64: 553–560, 1997
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