The $HeH^+$ molecular ion in a magnetic field

Abstract

A detailed study of the low-lying electronic states ${}^1\Si,{}^3\Si,{}^3\Pi,{}^3\De$ of the $\rm{HeH}^+$ molecular ion in parallel to a magnetic field configuration (when $\al$-particle and proton are situated on the same magnetic line) is carried out for $B=0-4.414\times 10^{13}$ G in the Born-Oppenheimer approximation. The variational method is employed using a physically adequate trial function. It is shown that the parallel configuration is stable with respect to small deviations for $\Si$-states. The quantum numbers of the ground state depend on the magnetic field strength. The ground state evolves from the spin-singlet ${}^1\Si$ state for small magnetic fields $B\lesssim 0.5 $ a.u. to the spin-triplet ${}^3\Si$ unbound state for intermediate fields and to the spin-triplet strongly bound $^3\Pi$ state for $B \gtrsim 15 $ a.u. When the $\rm{HeH}^+$ molecular ion exists, it is stable with respect to a dissociation.