Light absorption and energy transfer in the antenna complexes of photosynthetic organisms

T Mirkovic, EE Ostroumov, JM Anna… - Chemical …, 2017 - ACS Publications
The process of photosynthesis is initiated by the capture of sunlight by a network of light-
absorbing molecules (chromophores), which are also responsible for the subsequent …

Dynamics of light harvesting in photosynthesis

YC Cheng, GR Fleming - Annual review of physical chemistry, 2009 - annualreviews.org
We review recent theoretical and experimental advances in the elucidation of the dynamics
of light harvesting in photosynthesis, focusing on recent theoretical developments in …

A comprehensive electron wavefunction analysis toolbox for chemists, Multiwfn

T Lu - The Journal of Chemical Physics, 2024 - pubs.aip.org
Analysis of electron wavefunction is a key component of quantum chemistry investigations
and is indispensable for the practical research of many chemical problems. After more than …

Null exciton-coupled chromophoric dimer exhibits symmetry-breaking charge separation

E Sebastian, M Hariharan - Journal of the American Chemical …, 2021 - ACS Publications
A comprehensive understanding of the structure–property relationships in
multichromophoric architectures has pushed the limits for develo** robust photosynthetic …

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 transport in molecular organic semiconductors boosted by transient quantum delocalization

S Giannini, WT Peng, L Cupellini, D Padula… - Nature …, 2022 - nature.com
Designing molecular materials with very large exciton diffusion lengths would remove some
of the intrinsic limitations of present-day organic optoelectronic devices. Yet, the nature of …

Delocalized excitons in natural light-harvesting complexes

SJ Jang, B Mennucci - Reviews of Modern Physics, 2018 - APS
Natural organisms such as photosynthetic bacteria, algae, and plants employ complex
molecular machinery to convert solar energy into biochemical fuel. An important common …

Photosynthetic reaction center as a quantum heat engine

KE Dorfman, DV Voronine… - Proceedings of the …, 2013 - National Acad Sciences
Two seemingly unrelated effects attributed to quantum coherence have been reported
recently in natural and artificial light-harvesting systems. First, an enhanced solar cell …

Excited-state calculations with TD-DFT: from benchmarks to simulations in complex environments

D Jacquemin, B Mennucci, C Adamo - Physical chemistry chemical …, 2011 - pubs.rsc.org
In this perspective, we present an overview of recent progress on Time-Dependent Density
Functional Theory (TD-DFT) with a specific focus on its accuracy and on models able to take …

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 …