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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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