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Ab initio calculations of response properties including the electron-hole interaction

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  • Ab initio calculations of response properties including the electron-hole interaction
Author
Olevano V
EL Shirley
Stefan Albrecht
Chelikowsky JR
SG Louie
Lucia Reining
G Martinez
Keywords
paper
Abstract

We discuss the current status of a computational approach which allows to evaluate the dielectric matrix, and hence electronic excitations like optical properties, including local field and excitonic effects. We introduce a recent numerical development which greatly reduces the use of memory in such type of calculations, and hence eliminates one of the bottlenecks for the application to complex systems. We present recent applications of the method, focusing our interest on insulating oxides.

Year of Publication
2000
Journal
Mat. Res. Soc. Symp. Proc.
Volume
579
Number of Pages
9-19
ISBN Number
1-55899-487-4
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