title: Comment on "Dynamic factors in the reactions between the magic cluster Al13(-) and HCl/HI" by Q. H. Yuan, J. Li, and Z.-F. Liu, Phys. Chem. Chem. Phys., 2011, 13, 9871: a wavefunction instability problem.
abstract: We have investigated the wavefunction instabilities in the reaction between a metal cluster Al(13)(-) and a simple molecule HI. This work shows that Hartree-Fock instability problems are appreciably responsible for the reported discrepancy between density functional and coupled-cluster results.
authors.affiliation: Division of Materials Science, Korea Basic Science Institute Daejeon, 305-333, Korea. ykhan@kbsi.re.kr
authors.forename: Young-Kyu
authors.initials: YK
authors.lastname: Han