Excited states of the hydrogen molecule in magnetic fields: The triplet Σ states of the parallel configuration

P. Schmelcher, T. Detmer, and L. S. Cederbaum
Phys. Rev. A 64, 023410 – Published 3 July 2001
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Abstract

The hydrogen molecule in the presence of a homogeneous magnetic field is investigated for the parallel configuration in the complete regime of field strengths B=0100 a.u. Up to seven excitations are studied for gerade as well as ungerade spin triplet states of Σ symmetry with a high accuracy. The evolution of the potential-energy curves for the individual states with increasing field strength as well as the overall behavior of the spectrum are discussed in detail. A typical feature of many potential-energy curves is the strong increase of the dissociation energy and decrease of the corresponding equilibrium internuclear distance in the high-field regime. Strong qualitative changes of the potential energies are found particularly within the regime 0.01<~B<~5 a.u., where we observe among other things the field-dependent evolution of patterns of avoided crossings.

  • Received 17 October 2000

DOI:https://doi.org/10.1103/PhysRevA.64.023410

©2001 American Physical Society

Authors & Affiliations

P. Schmelcher, T. Detmer, and L. S. Cederbaum

  • Theoretische Chemie, Physikalisch-Chemisches Institut, Universität Heidelberg, INF 229, D-69120 Heidelberg, Federal Republic of Germany

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Vol. 64, Iss. 2 — August 2001

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