Resonant states of H$_3^-$ molecule and its isotopologues D$_2$H$^-$ and H$_2$D$^-$.

M. Ayouz (1, 2) , Olivier Dulieu (1) , J. Robert (1)

1 LAC - Laboratoire Aimé Cotton
2 LGPM - Laboratoire de Génie des Procédés et Matériaux - EA 4038

Using the ground potential energy surface[M. Ayouz \textit{et\, al}. J. Chem Phys \textbf{132} 194309 (2010)] of the H$_3^-$ molecule, we have determined the energies and widths of the complex resonant levels of H$_3^-$ located up to 4000~cm$^{-1}$ above the dissociation limit H$^-$+H$_2(v_d=0,j_d=0)$. Bound and resonant levels of the H$_2$D$^-$ and D$_2$H$^-$ isotopologues have been also characterized within the same energy range. The method combines the hyperspherical adiabatic approach, slow variable discretization method, and complex absorbing potential. These results represent the first step for modeling the dynamics of the associated diatom-negative ion collision at low energy involving rotational quenching of the diatom and reactive nucleus exchange via weak tunneling effect through the potential barrier of the potential energy surface.

Mots clés: hydrogen triatomic negative ion; H3-; resonances; slow variable discretization; hyperspherical coordinates

Domaines: Physique Quantique [quant-ph]

M. Ayouz, Olivier Dulieu, J. Robert. Resonant states of H$_3^-$ molecule and its isotopologues D$_2$H$^-$ and H$_2$D$^-$.. 2013. ⟨hal-00810648⟩