A time-dependent modified Redfield theory for absorption spectra applied to light-harvesting systems

2007 ◽  
Vol 125 (1-2) ◽  
pp. 126-132 ◽  
Author(s):  
Markus Schröder ◽  
Michael Schreiber ◽  
Ulrich Kleinekathöfer
Keyword(s):  
Absorption Spectra ◽  
Light Harvesting ◽  
Time Dependent ◽  
Redfield Theory ◽  
Harvesting Systems

Time dependent DFT investigation of the optical properties of artificial light harvesting special pairs

2016 ◽  
Vol 18 (22) ◽  
pp. 15337-15351 ◽  
Author(s):  
Neha Agnihotri ◽  
Ronald P. Steer
Keyword(s):  
Optical Properties ◽  
Absorption Spectra ◽  
Light Harvesting ◽  
Time Dependent ◽  
Artificial Light

Simulated absorption spectra of (ZnTriPP)2DPB dimer in which Q band is enhanced 50 times for visibility.

scholarly journals Fully Quantum Modeling of Exciton Diffusion in Mesoscale Light Harvesting Systems

Materials ◽  
2021 ◽  
Vol 14 (12) ◽  
pp. 3291
Author(s):  
Fulu Zheng ◽  
Lipeng Chen ◽  
Jianbo Gao ◽  
Yang Zhao
Keyword(s):  
Light Harvesting ◽  
Purple Bacteria ◽  
Time Dependent ◽  
Graphic Processing Units ◽  
Exciton Diffusion ◽  
Quantum Mechanical Treatment ◽  
Exciton Transfer ◽  
Harvesting Systems ◽  
Intractable Problem ◽  
Computational Resources

It has long been a challenge to accurately and efficiently simulate exciton–phonon dynamics in mesoscale photosynthetic systems with a fully quantum mechanical treatment due to extensive computational resources required. In this work, we tackle this seemingly intractable problem by combining the Dirac–Frenkel time-dependent variational method with Davydov trial states and implementing the algorithm in graphic processing units. The phonons are treated on the same footing as the exciton. Tested with toy models, which are nanoarrays of the B850 pigments from the light harvesting 2 complexes of purple bacteria, the methodology is adopted to describe exciton diffusion in huge systems containing more than 1600 molecules. The superradiance enhancement factor extracted from the simulations indicates an exciton delocalization over two to three pigments, in agreement with measurements of fluorescence quantum yield and lifetime in B850 systems. With fractal analysis of the exciton dynamics, it is found that exciton transfer in B850 nanoarrays exhibits a superdiffusion component for about 500 fs. Treating the B850 ring as an aggregate and modeling the inter-ring exciton transfer as incoherent hopping, we also apply the method of classical master equations to estimate exciton diffusion properties in one-dimensional (1D) and two-dimensional (2D) B850 nanoarrays using derived analytical expressions of time-dependent excitation probabilities. For both coherent and incoherent propagation, faster energy transfer is uncovered in 2D nanoarrays than 1D chains, owing to availability of more numerous propagating channels in the 2D arrangement.

Efficient artificial light-harvesting systems based on aggregation-induced emission constructed in supramolecular gels

Soft Matter ◽  
2021 ◽  
Author(s):  
Xinxian Ma ◽  
bo qiao ◽  
Jinlong Yue ◽  
JingJing Yu ◽  
yutao geng ◽  
...  
Keyword(s):  
Energy Transfer ◽  
Rhodamine B ◽  
Fluorescent Dyes ◽  
Light Harvesting ◽  
Artificial Light ◽  
Efficient Energy Transfer ◽  
Aggregation Induced Emission ◽  
Efficient Energy ◽  
Harvesting Systems ◽  
Acyl Hydrazone

Based on a new designed acyl hydrazone gelator (G2), we developed an efficient energy transfer supramolecular organogel in glycol with two different hydrophobic fluorescent dyes rhodamine B (RhB) and acridine...

Linearly polarized light absorption spectra of chlorosomes, light-harvesting antennas of photosynthetic green sulfur bacteria

2010 ◽  
Vol 484 (4-6) ◽  
pp. 333-337 ◽  
Author(s):  
Hitoshi Tamiaki ◽  
Shingo Tateishi ◽  
Shosuke Nakabayashi ◽  
Yutaka Shibata ◽  
Shigeru Itoh
Keyword(s):  
Absorption Spectra ◽  
Light Absorption ◽  
Light Harvesting ◽  
Polarized Light ◽  
Green Sulfur Bacteria ◽  
Sulfur Bacteria ◽  
Linearly Polarized ◽  
Green Sulfur

scholarly journals Prediction of high-valent iron K-edge absorption spectra by time-dependent Density Functional Theory

2011 ◽  
Vol 40 (42) ◽  
pp. 11070 ◽  
Author(s):  
P. Chandrasekaran ◽  
S. Chantal E. Stieber ◽  
Terrence J. Collins ◽  
Lawrence Que, Jr. ◽  
Frank Neese ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Absorption Spectra ◽  
Density Functional ◽  
Time Dependent ◽  
Functional Theory ◽  
Edge Absorption ◽  
High Valent ◽  
Dependent Density
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