Vibrational spectroscopic map, vibrational spectroscopy, and intermolecular interaction

CR Baiz, B Błasiak, J Bredenbeck, M Cho… - Chemical …, 2020 - ACS Publications
Vibrational spectroscopy is an essential tool in chemical analyses, biological assays, and
studies of functional materials. Over the past decade, various coherent nonlinear vibrational …

Spin-vibronic mechanism for intersystem crossing

TJ Penfold, E Gindensperger, C Daniel… - Chemical …, 2018 - ACS Publications
Intersystem crossing (ISC), formally forbidden within nonrelativistic quantum theory, is the
mechanism by which a molecule changes its spin state. It plays an important role in the …

Recent advances and perspectives on nonadiabatic mixed quantum–classical dynamics

R Crespo-Otero, M Barbatti - Chemical reviews, 2018 - ACS Publications
Nonadiabatic mixed quantum–classical (NA-MQC) dynamics methods form a class of
computational theoretical approaches in quantum chemistry tailored to investigate the time …

Ultrafast spectroscopy: State of the art and open challenges

M Maiuri, M Garavelli, G Cerullo - Journal of the American …, 2019 - ACS Publications
Ultrafast spectroscopy techniques use sequences of ultrashort light pulses (with femto-to
attosecond durations) to study photoinduced dynamical processes in atoms, molecules …

Molecular excited states through a machine learning lens

PO Dral, M Barbatti - Nature Reviews Chemistry, 2021 - nature.com
Theoretical simulations of electronic excitations and associated processes in molecules are
indispensable for fundamental research and technological innovations. However, such …

Using coherence to enhance function in chemical and biophysical systems

GD Scholes, GR Fleming, LX Chen, A Aspuru-Guzik… - Nature, 2017 - nature.com
Coherence phenomena arise from interference, or the addition, of wave-like amplitudes with
fixed phase differences. Although coherence has been shown to yield transformative ways …

[HTML][HTML] Interactions between Fermi polarons in monolayer WS2

JB Muir, J Levinsen, SK Earl, MA Conway… - Nature …, 2022 - nature.com
Interactions between quasiparticles are of fundamental importance and ultimately determine
the macroscopic properties of quantum matter. A famous example is the phenomenon of …

Exciton transport in molecular aggregates–from natural antennas to synthetic chromophore systems

T Brixner, R Hildner, J Köhler… - Advanced Energy …, 2017 - Wiley Online Library
The transport of excitation energy in molecular aggregates is of crucial importance for the
function of organic optoelectronic devices and next‐generation solar cells. First, this review …

Attosecond electron pulse trains and quantum state reconstruction in ultrafast transmission electron microscopy

KE Priebe, C Rathje, SV Yalunin, T Hohage, A Feist… - Nature …, 2017 - nature.com
Ultrafast electron and X-ray imaging and spectroscopy are the basis for an ongoing
revolution in the understanding of dynamical atomic-scale processes in matter. The …

[图书][B] Concepts and methods of 2D infrared spectroscopy

P Hamm, M Zanni - 2011 - books.google.com
2D infrared (IR) spectroscopy is a cutting-edge technique, with applications in subjects as
diverse as the energy sciences, biophysics and physical chemistry. This book introduces the …