The performance of time-dependent density functional theory based on a noncollinear exchange-correlation potential in the calculations of excitation energies

2005 ◽  
Vol 122 (7) ◽  
pp. 074109 ◽  
Author(s):  
Fan Wang ◽  
Tom Ziegler
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Time Dependent ◽  
Excitation Energies ◽  
Functional Theory ◽  
Exchange Correlation ◽  
Exchange Correlation Potential ◽  
Correlation Potential ◽  
Dependent Density

scholarly journals Time-dependent density functional theory beyond Kohn–Sham Slater determinants

2016 ◽  
Vol 18 (31) ◽  
pp. 20976-20985 ◽  
Author(s):  
Johanna I. Fuks ◽  
Søren E. B. Nielsen ◽  
Michael Ruggenthaler ◽  
Neepa T. Maitra
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Time Dependent ◽  
Functional Theory ◽  
Exchange Correlation ◽  
Exchange Correlation Potential ◽  
Correlation Potential ◽  
Dependent Density

Different choices of initial Kohn Sham wavefunction shape the time-dependent exchange–correlation potential.

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