scholarly journals Range-separated time-dependent density-functional theory with a frequency-dependent second-order Bethe-Salpeter correlation kernel

2016 ◽  
Vol 144 (9) ◽  
pp. 094107 ◽  
Author(s):  
Elisa Rebolini ◽  
Julien Toulouse
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Second Order ◽  
Time Dependent ◽  
Functional Theory ◽  
Frequency Dependent ◽  
Correlation Kernel ◽  
Dependent Density

EXCHANGE–CORRELATION KERNEL IN TIME-DEPENDENT DENSITY FUNCTIONAL THEORY DERIVED FROM MANY-BODY THEORY

2004 ◽  
Vol 18 (07) ◽  
pp. 1055-1067 ◽  
Author(s):  
K. KARLSSON ◽  
F. ARYASETIAWAN
Keyword(s):  
Density Functional Theory ◽  
Optical Absorption ◽  
Density Functional ◽  
Time Dependent ◽  
Many Body ◽  
Functional Theory ◽  
Correlation Kernel ◽  
Exchange Correlation ◽  
Many Body Theory ◽  
Dependent Density

We derive a simplified Bethe–Salpeter equation for calculating optical absorption based on the assumption of a local electron–hole interaction. The original four-point equation for the kernel is reduced to a two-point one. A connection to the exchange–correlation kernel in time-dependent density functional theory can be established. The resulting fxc is found to be -W/2 where W contains only the short-range (local) part of the Coulomb screened interaction. This simple approximation was successfully applied to optical absorption spectra of some excitonic crystals, reproducing not only the continuum excitons but also the bound ones.

scholarly journals Long-range contribution to the exchange-correlation kernel of time-dependent density functional theory

2004 ◽  
Vol 69 (15) ◽  
Author(s):  
Silvana Botti ◽  
Francesco Sottile ◽  
Nathalie Vast ◽  
Valerio Olevano ◽  
Lucia Reining ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Long Range ◽  
Density Functional ◽  
Time Dependent ◽  
Functional Theory ◽  
Correlation Kernel ◽  
Exchange Correlation ◽  
Dependent Density
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