Abstract

A first detailed study of the low-lying electronic states of the H 3 + molecular ion in linear configuration, parallel to a magnetic field, is carried out for B=0–4.414×1013 G in the Born-Oppenheimer approximation. The variational method is employed with a single, physically adequate trial function which includes, in particular, explicitly the electronic correlation term in the form exp (γ r12), where γ is a variational parameter. The state of the lowest total energy (ground state) depends on the magnetic field strength. It evolves from spin-singlet 1Σg for small magnetic fields B≲5×108 G to weakly-bound spin-triplet 3Σu for intermediate fields and eventually to spin-triplet 3Πu state for B≳5×1010 G.

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