A time-dependent density functional theory investigation on the nature of the electronic transitions involved in the nonlinear optical response of [Ru(CF3CO2)3T] (T = 4′-(C6H4-p-NBu2)-2,2′:6′,2″-terpyridine)

2006 ◽  
pp. 852-859 ◽  
Author(s):  
Filippo De Angelis ◽  
Simona Fantacci ◽  
Antonio Sgamelotti ◽  
Franco Cariati ◽  
Dominique Roberto ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Nonlinear Optical ◽  
Optical Response ◽  
Time Dependent ◽  
Nonlinear Optical Response ◽  
Electronic Transitions ◽  
Functional Theory ◽  
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.

The optical response of nanoclusters under confinement

RSC Advances ◽  
2015 ◽  
Vol 5 (94) ◽  
pp. 77478-77489 ◽  
Author(s):  
Balasaheb J. Nagare
Keyword(s):  
Density Functional Theory ◽  
Optical Properties ◽  
Density Functional ◽  
Optical Response ◽  
Real Space ◽  
Space Time ◽  
Time Dependent ◽  
Functional Theory ◽  
Dependent Density

We report the optical properties of metallic and semiconductor nanoclusters with various sizes as a function of confinement using real-space time dependent density functional theory (TDDFT).

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