scholarly journals First-principles description of charge transfer in donor-acceptor compounds from self-consistent many-body perturbation theory

2014 ◽  
Vol 90 (8) ◽  
Author(s):  
Fabio Caruso ◽  
Viktor Atalla ◽  
Xinguo Ren ◽  
Angel Rubio ◽  
Matthias Scheffler ◽  
...  
1998 ◽  
Vol 58 (19) ◽  
pp. 12684-12690 ◽  
Author(s):  
Arno Schindlmayr ◽  
Thomas J. Pollehn ◽  
R. W. Godby

RSC Advances ◽  
2020 ◽  
Vol 10 (41) ◽  
pp. 24515-24520 ◽  
Author(s):  
Xiangtian Bu ◽  
Shudong Wang

Through first-principles calculations combining many-body perturbation theory, we investigate electron–phonon scattering and optical properties including the excitonic effects of T-carbon.


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