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arXiv · 1112.3463

He$_2^{3+}$ and HeH$^{2+}$ molecular ions in a strong magnetic field: the Lagrange mesh approach

Horacio Olivares Pilón
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Abstract

Accurate calculations for the ground state of the molecular ions He$_2^{3+}$ and HeH$^{2+}$ placed in a strong magnetic field $B\gtrsim 10^{2}$ a.u. ($\approx 2.35 \times 10^{11}$G) using the Lagrange-mesh method are presented. The Born-Oppenheimer approximation of zero order (infinitely massive centers) and the parallel configuration (molecular axis parallel to the magnetic field) are considered. Total energies are found with 9-10 s.d. The obtained results show that the molecular ions He$_2^{3+}$ and HeH$^{2+}$ exist at $B > 100$\,a.u. and $B > 1000$\,a.u., respectively, as predicted in \cite{Tu:2007} while a saddle point in the potential curve appears for the first time at $B \sim 80$ a.u. and $B \sim 740$ a.u., respectively.

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Horacio Olivares Pilón. 2011-12-15. He$_2^{3+}$ and HeH$^{2+}$ molecular ions in a strong magnetic field: the Lagrange mesh approach. https://doi.org/10.1016/j.physleta.2012.03.044

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