Lagrangian approach to molecular vibrational Raman intensities using time-dependent hybrid density functional theory

2007 ◽  
Vol 126 (20) ◽  
pp. 201104 ◽  
Author(s):  
Dmitrij Rappoport ◽  
Filipp Furche
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Lagrangian Approach ◽  
Time Dependent ◽  
Hybrid Density Functional Theory ◽  
Functional Theory ◽  
Raman Intensities ◽  
Hybrid Density Functional

Optoelectronic and solar cell applications of Janus monolayers and their van der Waals heterostructures

2019 ◽  
Vol 21 (34) ◽  
pp. 18612-18621 ◽  
Author(s):  
M. Idrees ◽  
H. U. Din ◽  
R. Ali ◽  
G. Rehman ◽  
T. Hussain ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Solar Cell ◽  
Density Functional ◽  
Van Der Waals ◽  
Density Functional Theory Calculations ◽  
Hybrid Density Functional Theory ◽  
Van Der Waals Heterostructures ◽  
Functional Theory ◽  
Hybrid Density Functional

Janus monolayers and their van der Waals heterostuctures are investigated by hybrid density functional theory calculations.

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