Charge Model 3:  A Class IV Charge Model Based on Hybrid Density Functional Theory with Variable Exchange

2002 ◽  
Vol 106 (44) ◽  
pp. 10707-10717 ◽  
Author(s):  
Paul Winget ◽  
Jason D. Thompson ◽  
James D. Xidos ◽  
Christopher J. Cramer ◽  
Donald G. Truhlar
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Hybrid Density Functional Theory ◽  
Functional Theory ◽  
Model Based ◽  
Charge Model ◽  
Hybrid Density Functional ◽  
Variable Exchange ◽  
Class Iv

A Class IV Charge Model for Boron Based on Hybrid Density Functional Theory

2003 ◽  
Vol 107 (33) ◽  
pp. 6483-6488 ◽  
Author(s):  
Joseph M. Brom ◽  
Brian J. Schmitz ◽  
Jason D. Thompson ◽  
Christopher J. Cramer ◽  
Donald G. Truhlar
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Hybrid Density Functional Theory ◽  
Functional Theory ◽  
Charge Model ◽  
Hybrid Density Functional ◽  
Class Iv

A Class IV Charge Model for Boron Based on Hybrid Density Functional Theory.

ChemInform ◽  
2003 ◽  
Vol 34 (43) ◽  
Author(s):  
Joseph M. Brom ◽  
Brian J. Schmitz ◽  
Jason D. Thompson ◽  
Christopher J. Cramer ◽  
Donald G. Truhlar
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Hybrid Density Functional Theory ◽  
Functional Theory ◽  
Charge Model ◽  
Hybrid Density Functional ◽  
Class Iv

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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