P. Li et al., The MACQM calculation for the binding energy of the equilateral triangle structure of H-3(-) cluster, COMM TH PHY, 35(3), 2001, pp. 327-329
Considering that the equilateral triangle structure of H-3(-) cluster can b
e formed from the interaction of H- with two hydrogen atoms, a modified arr
angement channel quantum mechanics method has been used to calculate the to
tal energy curve for this structure. The result shows that the curve has a
minimal energy -1.6672 a.u. at an internuclear distance of 1.77(a0), so its
dissociation energy (binding energy) is D(H- + H + H) = 0.1395 a.u. This m
eans that the cluster H-3(-) may be formed in an equilateral triangle struc
ture with a bond length of 1.77a(0).