STRUCTURE AND IONIZATION-POTENTIALS OF CLUSTERS CONTAINING HEAVY-ELEMENTS .1. HOMONUCLEAR GROUP-V CLUSTERS UP TO HEXAMERS

Authors
IGELMANN G STOLL H PREUSS H
Citation
G. Igelmann et al., STRUCTURE AND IONIZATION-POTENTIALS OF CLUSTERS CONTAINING HEAVY-ELEMENTS .1. HOMONUCLEAR GROUP-V CLUSTERS UP TO HEXAMERS, Molecular physics, 80(2), 1993, pp. 325-339
Citations number
76
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Molecular physics → ACNP
ISSN journal
00268976
Volume
80
Issue
2
Year of publication
1993
Pages
325 - 339
Database
ISI
SICI code
0026-8976(1993)80:2<325:SAIOCC>2.0.ZU;2-#
Abstract
Homonuclear clusters X(m) of heavy group V atoms (X = As, Sb) up to m = 6 have been studied with valence ab initio self consistent field/con figuration integration calculations using energy-adjusted pseudopotent ials. Several structures have been investigated and results are given for bond lengths (R(e)), atomization energies (D(e)) and vertical ioni zation potentials of the ground states. Comparison with experimental a nd other theoretical values is made where possible.