Quantity Present study Ref. [10] Ref. [11] Ref. [19] D a ) as (a.u.) -1.701683 -1.70095 n/a n/a r b ) e (a.u.) 1.403 1.40 n/a n/a B c ) (a.u.) -1.68509 -1.68562 n/a n/a d ) position of B r$_{1}$ , r$_{2}$ (a.u.), δ = 0 1.996, 1.996 1.997 , 1.997 1.999, 1.999 1.74, 1.74 r,R (a.u.), γ = 0 1.996, 2.994 1.997, 2.996 1.999, 2.999 1.74, 2.61 M e ) (a.u.) -1.703511 -1.70270 n/a n/a position of M r , R (a.u.), γ = 0 1.421, 6.069 1.416, 6.183 1.419, 5.915 n/a B − M (cm − $^{1}$) 4042.9 3748.62 3786.42 n/a D$_{as}$ − M (cm − $^{1}$) 401.2 384.05 384.27 443.60 Energies obtained in calculation made separately for H$_{2}$ and H − E$_{H}$$_{2}$$_{(}$$_{r}$$_{=1}$$_{.}$$_{4)}$ -1.174252 -1.17368 n/a n/a E$_{H}$ − -0.527429 -0.52727 n/a n/a TABLE I: Different quantities characterizing the H − 3 ground state PES obtained in the present study compared with previous calculations [10, 11, 19]. a ) asymptotic energy at infinite separation between H$_{2}$( r$_{e}$ ) and H $^{−}$; b ) internuclear distance corresponding to the minimum of the H$_{2}$ dimer potential; c ) energy of the maximum of the barrier, B in Fig. 2; d ) Ref. [19] gives the height of the barrier (0.624 eV) with respect to the H$_{2}$( v = 0 ,j = 0)+H − dissociation; e ) energy of the PES minimum, M in Fig. 2. using the interpolation and extrapolation procedures described above are available with the journal’s EPAPS service and can be provided by the authors upon a request. Figures 3, 4, and 5 illustrate the comparison of the PES in Jacobi coordinates obtained in the present study with the results of Refs. [10, 11] for three values of γ =0 ° , 30 ° , and 90 ° respectively. Each figure gives the PES for one value of γ and eight values of r versus the coordinate R . The origin of potential energy yielded by the ab initio procedure corresponds III. COMPARISON WITH PREVIOUS STUDIES 8