1112.3463 (Horacio Olivares Pilón)

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

Horacio Olivares Pilón

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.

View original: http://arxiv.org/abs/1112.3463