Description of excited states in [Re(Imidazole)(CO)3 (Phen)]+ including solvent and spin-orbit coupling effects: Density functional theory versus multiconfigurational wavefunction approach

2016 ◽  
Vol 37 (27) ◽  
pp. 2454-2466 ◽  
Author(s):  
Maria Fumanal ◽  
Chantal Daniel
Keyword(s):  
Density Functional Theory ◽  
Excited States ◽  
Density Functional ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Coupling Effects ◽  
Functional Theory ◽  
Theory Versus

scholarly journals Spin–orbit coupling effect on electronic, optical, and thermoelectric properties of Janus Ga2SSe

RSC Advances ◽  
2020 ◽  
Vol 10 (73) ◽  
pp. 44785-44792
Author(s):  
Hong T. T. Nguyen ◽  
Vo T. T. Vi ◽  
Tuan V. Vu ◽  
Nguyen V. Hieu ◽  
Dung V. Lu ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Thermoelectric Properties ◽  
Density Functional ◽  
Coupling Effect ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Functional Theory

In this paper, we investigate the electronic, optical, and thermoelectric properties of Ga2SSe monolayer by using density functional theory.

Sign in / Sign up

Export Citation Format

Share Document