Electronic transfer dynamics for bridged binuclear mixed-valence compounds: Density functional theory study on electronic structure in the ground state for the Creutz–Taube ion under asymmetric distortions

1999 ◽  
Vol 111 (24) ◽  
pp. 10926-10933 ◽  
Author(s):  
Zhida Chen ◽  
Jiang Bian ◽  
Lei Zhang ◽  
Shuzhou Li
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Ground State ◽  
Density Functional ◽  
Mixed Valence ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Electronic Transfer ◽  
Mixed Valence Compounds

scholarly journals Density functional theory study on the electronic structure of UAl3 a nd USn3

2003 ◽  
Vol 52 (12) ◽  
pp. 3142
Author(s):  
Tan Ming-Qiu ◽  
Tao Xiang-Ming ◽  
Xu Xiao-Jun ◽  
Cai Jian-Qiu
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory
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