The MACQM calculation for the binding energy of the equilateral triangle structure of H-3(-) cluster

Citation
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
Citations number
9
Categorie Soggetti
Physics
Journal title
COMMUNICATIONS IN THEORETICAL PHYSICS
ISSN journal
02536102 → ACNP
Volume
35
Issue
3
Year of publication
2001
Pages
327 - 329
Database
ISI
SICI code
0253-6102(20010315)35:3<327:TMCFTB>2.0.ZU;2-6
Abstract
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).