Abstract

NADER, D. J.  and  LOPEZ VIEYRA, J.C.. The stability of the 1u state of H 2 + in magnetic fields with arbitrary orientations. Rev. mex. fis. [online]. 2016, vol.62, n.5, pp.461-469. ISSN 0035-001X.

The existence and stability of the van der Waals 1u state of the molecular ion ${\mathrm{H}}_2^{+}$ with fixed centers (infinitely massive nuclei) in the presence of a magnetic field with arbitrary orientations in the range of strengths 0 ≤ B ≤ 10 a.u. (1 a.u. ≡2.35× 109G) is studied within the non-relativistic framework. The study is based on the variational method with physical relevant trial functions. A particular emphasis to the gauge optimization through variational parameters is incorporated. It is shown that, for all the magnetic fields studied, the potential energy curve has a pronounced minimum for finite internuclear distances and the optimal configuration of minimal total energy is realized when the molecular axis is oriented along the magnetic field lines (parallel configuration). We found a domain of magnetic fields0 ≤ B ≲ 6.6 a.u. where the 1u state in parallel configuration is stable towards dissociation ${\mathrm{H}}_2^{+}\nrightarrow \mathrm{H}+\mathrm{p}$. The maximal stability is found to be at magnetic field B ∼ 2 a.u. where the potential well supports one vibrational state below the dissociation limit.

Keywords : H₂⁺; magnetic field; variational; trial function.

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