Vibrational spectroscopic map, vibrational spectroscopy, and intermolecular interaction
Vibrational spectroscopy is an essential tool in chemical analyses, biological assays, and
studies of functional materials. Over the past decade, various coherent nonlinear vibrational …
studies of functional materials. Over the past decade, various coherent nonlinear vibrational …
Spin-vibronic mechanism for intersystem crossing
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 …
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 …
computational theoretical approaches in quantum chemistry tailored to investigate the time …
Ultrafast spectroscopy: State of the art and open challenges
Ultrafast spectroscopy techniques use sequences of ultrashort light pulses (with femto-to
attosecond durations) to study photoinduced dynamical processes in atoms, molecules …
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 …
indispensable for fundamental research and technological innovations. However, such …
Using coherence to enhance function in chemical and biophysical systems
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 …
fixed phase differences. Although coherence has been shown to yield transformative ways …
[HTML][HTML] Interactions between Fermi polarons in monolayer WS2
Interactions between quasiparticles are of fundamental importance and ultimately determine
the macroscopic properties of quantum matter. A famous example is the phenomenon of …
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 …
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
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 …
revolution in the understanding of dynamical atomic-scale processes in matter. The …
[图书][B] Concepts and methods of 2D infrared spectroscopy
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 …
diverse as the energy sciences, biophysics and physical chemistry. This book introduces the …