Recent advances in ab initio, density functional theory, and relativistic electronic structure theory

2005 ◽  
pp. 507-557 ◽  
Author(s):  
Haruyuki Nakano ◽  
Takahito Nakajima ◽  
Takao Tsuneda ◽  
Kimihiko Hirao
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Ab Initio ◽  
Density Functional ◽  
Electronic Structure Theory ◽  
Structure Theory ◽  
Functional Theory ◽  
Recent Advances

scholarly journals Quantum-electrodynamical density-functional theory: Bridging quantum optics and electronic-structure theory

2014 ◽  
Vol 90 (1) ◽  
Author(s):  
Michael Ruggenthaler ◽  
Johannes Flick ◽  
Camilla Pellegrini ◽  
Heiko Appel ◽  
Ilya V. Tokatly ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Quantum Optics ◽  
Density Functional ◽  
Electronic Structure Theory ◽  
Structure Theory ◽  
Functional Theory

scholarly journals The electronic structure of quasi-free-standing germanene on monolayer MX (M = Ga, In; X = S, Se, Te)

2015 ◽  
Vol 17 (29) ◽  
pp. 19039-19044 ◽  
Author(s):  
Zeyuan Ni ◽  
Emi Minamitani ◽  
Yasunobu Ando ◽  
Satoshi Watanabe
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Ab Initio ◽  
Electronic Structures ◽  
Density Functional ◽  
Free Standing ◽  
Functional Theory ◽  
The Stability ◽  
First Time

For the first time by using the ab initio density functional theory, the stability and electronic structures of germanene on monolayer GaS, GaSe, GaTe and InSe have been investigated.

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