Time dependent density functional investigation of the near-edge absorption spectra of V2O5

2006 ◽  
Vol 8 (37) ◽  
pp. 4300 ◽  
Author(s):  
R. De Francesco ◽  
M. Stener ◽  
M. Caus? ◽  
D. Toffoli ◽  
G. Fronzoni
Keyword(s):  
Absorption Spectra ◽  
Density Functional ◽  
Time Dependent ◽  
Edge Absorption ◽  
Functional Investigation ◽  
Dependent Density

scholarly journals Prediction of high-valent iron K-edge absorption spectra by time-dependent Density Functional Theory

2011 ◽  
Vol 40 (42) ◽  
pp. 11070 ◽  
Author(s):  
P. Chandrasekaran ◽  
S. Chantal E. Stieber ◽  
Terrence J. Collins ◽  
Lawrence Que, Jr. ◽  
Frank Neese ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Absorption Spectra ◽  
Density Functional ◽  
Time Dependent ◽  
Functional Theory ◽  
Edge Absorption ◽  
High Valent ◽  
Dependent Density
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