Quantum chemical studies of light harvesting

C Curutchet, B Mennucci - Chemical reviews, 2017 - ACS Publications
The design of optimal light-harvesting (supra) molecular systems and materials is one of the
most challenging frontiers of science. Theoretical methods and computational models play a …

Exciton–vibrational coupling in the dynamics and spectroscopy of Frenkel excitons in molecular aggregates

M Schröter, SD Ivanov, J Schulze, SP Polyutov, Y Yan… - Physics Reports, 2015 - Elsevier
The influence of exciton–vibrational coupling on the optical and transport properties of
molecular aggregates is an old problem that gained renewed interest in recent years. On the …

Plasmon-coupled resonance energy transfer

LY Hsu, W Ding, GC Schatz - The journal of physical chemistry …, 2017 - ACS Publications
In this study, we overview resonance energy transfer between molecules in the presence of
plasmonic structures and derive an explicit Förster-type expression for the rate of plasmon …

Reduced quantum dynamics with arbitrary bath spectral densities: Hierarchical equations of motion based on several different bath decomposition schemes

H Liu, L Zhu, S Bai, Q Shi - The Journal of chemical physics, 2014 - pubs.aip.org
We investigated applications of the hierarchical equation of motion (HEOM) method to
perform high order perturbation calculations of reduced quantum dynamics for a harmonic …

Regimes of exciton transport in molecular crystals in the presence of dynamic disorder

J Aragó, A Troisi - Advanced Functional Materials, 2016 - Wiley Online Library
Thermal motions in molecular crystals cause substantial fluctuation of the excitonic coupling
between neighboring molecules (dynamic disorder). The effect of such fluctuation on the …

Characteristic distance of resonance energy transfer coupled with surface plasmon polaritons

JS Wu, YC Lin, YL Sheu, LY Hsu - The Journal of Physical …, 2018 - ACS Publications
We investigate resonance energy transfer (RET) between a donor–acceptor pair above a
gold surface (including bulk and thin-film systems) and explore the distance/frequency …

A little coherence in photosynthetic light harvesting

JM Anna, GD Scholes, R Van Grondelle - BioScience, 2014 - academic.oup.com
How could quantum mechanics possibly be important in biology? We will discuss this
question in the light of recent experiments that suggest that quantum mechanics—or at least …

Effects of system-bath coupling on a photosynthetic heat engine: A polaron master-equation approach

M Qin, HZ Shen, XL Zhao, XX Yi - Physical Review A, 2017 - APS
Stimulated by suggestions of quantum effects in energy transport in photosynthesis, the
fundamental principles responsible for the near-unit efficiency of the conversion of solar to …

An efficient quantum jump method for coherent energy transfer dynamics in photosynthetic systems under the influence of laser fields

Q Ai, YJ Fan, BY Jin, YC Cheng - New Journal of Physics, 2014 - iopscience.iop.org
We present a non-Markovian quantum jump (NMQJ) approach for simulating coherent
energy transfer dynamics in molecular systems in the presence of laser fields. By combining …

Criteria for the accuracy of small polaron quantum master equation in simulating excitation energy transfer dynamics

HT Chang, PP Zhang, YC Cheng - The Journal of Chemical Physics, 2013 - pubs.aip.org
The small polaron quantum master equation (SPQME) proposed by Jang et al [J. Chem.
Phys. 129, 101104 (2008)] is a promising approach to describe coherent excitation energy …