scholarly journals Calculation of the optical response of atomic clusters using time-dependent density functional theory and local orbitals

2002 ◽  
Vol 66 (23) ◽  
Author(s):  
Argyrios Tsolakidis ◽  
Daniel Sánchez-Portal ◽  
Richard M. Martin
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Optical Response ◽  
Atomic Clusters ◽  
Time Dependent ◽  
Functional Theory ◽  
Dependent Density

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).

Shapes matter: examining the optical response evolution in stretched aluminium nanoparticles via time-dependent density functional theory

2018 ◽  
Vol 20 (1) ◽  
pp. 51-55 ◽  
Author(s):  
Junais Habeeb Mokkath
Keyword(s):  
Density Functional Theory ◽  
First Principles ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Optical Response ◽  
Shape Anisotropy ◽  
Time Dependent ◽  
Functional Theory ◽  
Stretching Process ◽  
Dependent Density

Using first-principles time-dependent density functional theory calculations, we investigate the shape-anisotropy effects on the optical response of a spherical aluminium nanoparticle subjected to a stretching process in different directions.

Time dependent DFT investigation of the optical response in pristine and Gd doped Al2O3

RSC Advances ◽  
2016 ◽  
Vol 6 (76) ◽  
pp. 72537-72543
Author(s):  
Sandip Kumavat ◽  
Sudip Chakraborty ◽  
Amol B. Rahane ◽  
Mrinalini D. Deshpande ◽  
Rajeev Ahuja
Keyword(s):  
Density Functional Theory ◽  
Optical Absorption ◽  
Absorption Spectra ◽  
Density Functional ◽  
Optical Response ◽  
Time Dependent ◽  
Optical Absorption Spectra ◽  
Functional Theory ◽  
Energy Configurations ◽  
Dependent Density

The optical absorption spectra and static polarizabilities for the lowest energy configurations of Al2O3 and Gd doped (Al2O3)n clusters (n = 1–10) are investigated based on the time-dependent density functional theory (TDDFT) formalism.

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