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Some investigations in the theory of open-shell ions

 

作者: J.S. Griffith,  

 

期刊: Molecular Physics  (Taylor Available online 1960)
卷期: Volume 3, issue 5  

页码: 457-475

 

ISSN:0026-8976

 

年代: 1960

 

DOI:10.1080/00268976000100501

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

摘要:

The use ofV,WandXcoefficients in calculations of matrix elements is shown. General formulae for all two-electron spin-orbit coupling matrices in an octahedral strong-field coupling scheme are deduced. The parametrization of the electrostatic energy in ligand field theory is discussed and the number of parameters required is given in various cases. The configurationf2in an octahedral strong-field scheme is treated in some detail and reasons for the anomalously low paramagnetism of PuF6are exposed, largely in contradiction to earlier views [13, 14]. Finally it is shown that expressions involving recoupling matrix elements, which occur in a scheme for calculating matrix elements of one-electron operators given by Tanabe and Kamimura [3], are proportional toWandXcoefficients, thus considerably extending the scope of the latter work.

 

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