Structure and ionization potentials of clusters containing heavy elements
作者:
G. Igel-Mann,
H. Stoll,
H. Preuss,
期刊:
Molecular Physics
(Taylor Available online 1993)
卷期:
Volume 80,
issue 2
页码: 325-339
ISSN:0026-8976
年代: 1993
DOI:10.1080/00268979300102291
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
Homonuclear clustersXmof heavy group V atoms (X= As, Sb) up tom= 6 have been studied with valenceab initioself consistent field/configuration integration calculations using energy-adjusted pseudopotentials. Several structures have been investigated and results are given for bond lengths (Re), atomization energies (De) and vertical ionization potentials of the ground states. Comparison with experimental and other theoretical values is made where possible.
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