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

Authors
Li, P Yin, H Gou, QQ Miao, JW
Citation
P. Li et al., The MACQM calculation of the total energy curve for the equilateral triangle structure of H-3(+) cluster, COMM TH PHY, 32(3), 1999, pp. 467-470
Citations number
9
Categorie Soggetti
Physics
Journal title
COMMUNICATIONS IN THEORETICAL PHYSICS
ISSN journal
02536102 → ACNP
Volume
32
Issue
3
Year of publication
1999
Pages
467 - 470
Database
ISI
SICI code
0253-6102(19991030)32:3<467:TMCOTT>2.0.ZU;2-P
Abstract
Considering that the cluster H-3(+) can be formed from the interaction of H + with two hydrogen atoms, a modified arrangement channel quantum mechanics method has been used to calculate the total energy curve for the equilater al triangle structure of H-3(+). The result shows that the curve has a mini mal energy -1.2306 a.u. at the internuclear distance R = 1.97a(0) = 1.04 An gstrom. This bond length is in good agreement with the experimental value o f R = 0.98 +/- 0.02 Angstrom.