Expanded theory of H-and J-molecular aggregates: the effects of vibronic coupling and intermolecular charge transfer

NJ Hestand, FC Spano - Chemical reviews, 2018 - ACS Publications
The electronic excited states of molecular aggregates and their photophysical signatures
have long fascinated spectroscopists and theoreticians alike since the advent of Frenkel …

Polaritons and excitons: Hamiltonian design for enhanced coherence

GD Scholes - Proceedings of the Royal Society A, 2020 - royalsocietypublishing.org
The primary questions motivating this report are: Are there ways to increase coherence and
delocalization of excitation among many molecules at moderate electronic coupling …

Controlling vibronic coupling in chlorophyll proteins: The effects of excitonic delocalization and vibrational localization

G Grechishnikova, JH Wat, N de Cordoba… - The Journal of …, 2024 - ACS Publications
Vibrational–electronic (vibronic) coupling plays a critical role in excitation energy transfer in
molecular aggregates and pigment–protein complexes (PPCs). But the interplay between …

Electronically excited states in cylindrical molecular aggregates: Exciton delocalization, dynamics, and optical response

TLC Jansen, LM Günther, J Knoester… - Chemical Physics …, 2024 - pubs.aip.org
For almost 100 years molecular aggregates have attracted considerable scientific attention,
because their electronically excited states feature interesting collective effects that result in …

Impact of Local and Nonlocal Vibronic Coupling on the Absorption and Emission Spectra of J-and H-Dimers

H Haghshenas, FC Spano - Journal of Chemical Theory and …, 2024 - ACS Publications
The impact of exciton-vibrational (EV) coupling involving low-energy (“slow”) inter molecular
vibrations and higher-energy (“fast”) intra molecular vibrations on the absorption and …

Strong exciton–vibrational coupling in molecular assemblies. dynamics using the polaron transformation in heom space

J Seibt, O Kühn - The Journal of Physical Chemistry A, 2021 - ACS Publications
In Frenkel exciton dynamics of aggregated molecules, the polaron transformation (PT)
technique leads to decoupling of diagonal elements in the subspace of excited electronic …

The interplay of excitonic delocalization and vibrational localization in optical lineshapes: A variational polaron approach

M Reppert, R Dutta, L Slipchenko - The Journal of Chemical Physics, 2024 - pubs.aip.org
The dynamics of molecular excitonic systems are complicated by a competition between
electronic coupling (which drives delocalization) and vibrational-electronic (vibronic) …

Variational polaron transformation approach toward the calculation of thermopower in organic crystals

YC Wang, Y Zhao - Physical Review B, 2020 - APS
Based on the combination of the variational polaron transformation and the Green-Kubo
formalism, a method toward the thermopower calculations in organic crystals is proposed …

Modeling of excitonic properties in tubular molecular aggregates

A Bondarenko - 2019 - research.rug.nl
Molecular aggregates of dye molecules offer great possibilities to develop nanoscale
functional materials for optical and electronic applications. When closely packed in …

Polaritons and excitons

GD Scholes - Proceedings: Mathematical, Physical and Engineering …, 2020 - JSTOR
The primary questions motivating this report are: Are there ways to increase coherence and
delocalization of excitation among many molecules at moderate electronic coupling …