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Pseudopotential calculations on the ground state of the alkaline-earth monohydride ions

 

作者: Patricio Fuentealba,   Orfa Reyes,  

 

期刊: Molecular Physics  (Taylor Available online 1987)
卷期: Volume 62, issue 6  

页码: 1291-1296

 

ISSN:0026-8976

 

年代: 1987

 

DOI:10.1080/00268978700102971

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

摘要:

The ground state potential energy curves of alkaline-earth monohydride ions have been investigated. A pseudopotential formalism including a corepolarization potential has been used. For the valence correlation energy a local spin density functional with corrections for self interaction has been employed. Dissociation energies, bond lengths and vibrational frequencies are reported, and so are the vertical and adiabatic ionization potentials of the alkali and alkaline-earth monohydrides, which were obtained using the same theoretical model. A discussion and a comparison with other values, both theoretical and experimental, are also included.

 

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