Time-dependent density-functional theory based on optimized effective potentials for van der Waals forces

2005 ◽  
Vol 123 (2) ◽  
pp. 026101 ◽  
Author(s):  
So Hirata
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Time Dependent ◽  
Functional Theory ◽  
Effective Potentials ◽  
Dependent Density

scholarly journals Enhanced nonlinear optical response of graphene-based nanoflake van der Waals heterostructures

RSC Advances ◽  
2021 ◽  
Vol 11 (10) ◽  
pp. 5590-5600
Author(s):  
Sumandeep Kaur ◽  
Ravindra Pandey ◽  
Shashi P. Karna
Keyword(s):  
Density Functional Theory ◽  
Optical Properties ◽  
Density Functional ◽  
Nonlinear Optical ◽  
Van Der Waals ◽  
Time Dependent ◽  
Nonlinear Optical Response ◽  
Van Der Waals Heterostructures ◽  
Functional Theory ◽  
Dependent Density

The nonlinear optical properties of van der Waals bilayer heterostructures composed of graphene/h-BN and graphene/phosphorene nanoflakes are investigated using time-dependent density functional theory.

Time-dependent density functional theory employing optimized effective potentials

2002 ◽  
Vol 116 (15) ◽  
pp. 6468-6481 ◽  
Author(s):  
So Hirata ◽  
Stanislav Ivanov ◽  
Ireneusz Grabowski ◽  
Rodney J. Bartlett
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Time Dependent ◽  
Functional Theory ◽  
Effective Potentials ◽  
Dependent Density
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