首页   按字顺浏览 期刊浏览 卷期浏览 A MO calculation of the static Jahn-Teller effect in CuF6-4
A MO calculation of the static Jahn-Teller effect in CuF6-4

 

作者: C.J. Ballhausen,   Helge Johansen,  

 

期刊: Molecular Physics  （Taylor Available online 1966）
卷期: Volume 10, issue 2  

页码: 183-189

 

ISSN:0026-8976

 

年代: 1966

 

DOI:10.1080/00268976600100231

 

出版商: Taylor & Francis Group

 

数据来源: Taylor

 

摘要:

Using the LCAO-MO wavefunctions estimated by an extended Wolfsberg-Helmholz method, the first order static Jahn-Teller effect in CuF6-4has been calculated. The bond length difference between the long and the short bonds is found to be some 0·2å, in reasonable agreement with experiment.

 

点击下载:  PDF (279KB)



返 回