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Potential energy curve of H+2related to mirror-plane ground-state electron density

 

作者: N.H. March,   J.A. Alonso,   J.M. López,  

 

期刊: Molecular Physics  (Taylor Available online 1993)
卷期: Volume 79, issue 5  

页码: 1143-1146

 

ISSN:0026-8976

 

年代: 1993

 

DOI:10.1080/00268979300101901

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

摘要:

For closed shells in a bare Coulomb field, the one-centre densityp(r) can be characterized solely by s states. Here, the two-centre bare Coulomb field is considered for the molecular ion H+2. The potential energy curve, known to be a unique function of the ground-state densityp(rR), withRthe internuclear separation, is shown here to be determined solely by the electron density on the plane perpendicularly bisecting the bond axis.

 

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