scholarly journals Investigating the correlation between the nonlinear optical properties and singlet fission (SEF) efficiencies using advanced density functional theory (DFT) calculations

2020 ◽  
Author(s):  
Dinindu Mendis ◽  
Danushki Suriyawansa ◽  
Sulalith Samarasinghe ◽  
Neranga Abeyasinghe
Keyword(s):  
Density Functional Theory ◽  
Optical Properties ◽  
Dft Calculations ◽  
Density Functional ◽  
Nonlinear Optical ◽  
Nonlinear Optical Properties ◽  
Singlet Fission ◽  
Functional Theory

scholarly journals Nonlinear optical properties of spirocyclohexadine photochromes: insights from DFT calculations

2019 ◽  
Vol 18 (11) ◽  
pp. 2759-2765 ◽  
Author(s):  
Claire Tonnelé ◽  
Frédéric Castet
Keyword(s):  
Density Functional Theory ◽  
Optical Properties ◽  
Dft Calculations ◽  
Density Functional ◽  
Nonlinear Optical ◽  
Second Order ◽  
Nonlinear Optical Properties ◽  
Functional Theory ◽  
New Class

The second-order nonlinear optical properties of 1,3-indandione-derived spirocyclohexadine compounds, a new class of photochromes showing sensitivity to both UV and visible lights, are investigated by means of density functional theory.

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