Understanding the surface hopping view of electronic transitions and decoherence
We present a current, up-to-date review of the surface hopping methodology for solving
nonadiabatic problems, 25 years after Tully published the fewest switches surface hopping …
nonadiabatic problems, 25 years after Tully published the fewest switches surface hopping …
Nonlinear optical signals and spectroscopy with quantum light
Conventional nonlinear spectroscopy uses classical light to detect matter properties through
the variation of its response with frequencies or time delays. Quantum light opens up new …
the variation of its response with frequencies or time delays. Quantum light opens up new …
Femtosecond stimulated Raman spectroscopy
DR Dietze, RA Mathies - ChemPhysChem, 2016 - Wiley Online Library
Femtosecond stimulated Raman spectroscopy (FSRS) is an ultrafast nonlinear optical
technique that provides vibrational structural information with high temporal (sub‐50 fs) …
technique that provides vibrational structural information with high temporal (sub‐50 fs) …
Simulating coherent multidimensional spectroscopy of nonadiabatic molecular processes: From the infrared to the x-ray regime
Crossings of electronic potential energy surfaces in nuclear configuration space, known as
conical intersections, determine the rates and outcomes of a large class of photochemical …
conical intersections, determine the rates and outcomes of a large class of photochemical …
Ultrafast Conformational Dynamics of Electron Transfer in ExBox4+⊂Perylene
Multielectron acceptors are essential components for artificial photosynthetic systems that
must deliver multiple electrons to catalysts for solar fuels applications. The recently …
must deliver multiple electrons to catalysts for solar fuels applications. The recently …
Capturing photochemical and photophysical transformations in iron complexes with ultrafast X-ray spectroscopy and scattering
KJ Gaffney - Chemical Science, 2021 - pubs.rsc.org
Light-driven chemical transformations provide a compelling approach to understanding
chemical reactivity with the potential to use this understanding to advance solar energy and …
chemical reactivity with the potential to use this understanding to advance solar energy and …
QM/AMOEBA description of properties and dynamics of embedded molecules
We describe the development, implementation, and application of a polarizable QM/MM
strategy, based on the AMOEBA polarizable force field, for calculating molecular properties …
strategy, based on the AMOEBA polarizable force field, for calculating molecular properties …
Femtosecond stimulated Raman exposes the role of vibrational coherence in condensed-phase photoreactivity
DP Hoffman, RA Mathies - Accounts of chemical research, 2016 - ACS Publications
Conspectus Femtosecond spectroscopy has revealed coherent wave packet motion time
and time again, but the question as to whether these coherences are necessary for reactivity …
and time again, but the question as to whether these coherences are necessary for reactivity …
Nonadiabatic effects in electronic and nuclear dynamics
MP Bircher, E Liberatore, NJ Browning, S Brickel… - Structural …, 2017 - pubs.aip.org
The terms adiabatic and nonadiabatic, respectively, are used in many different contexts.
Whereas in classical thermodynamics, adiabatic refers to processes that occur without any …
Whereas in classical thermodynamics, adiabatic refers to processes that occur without any …
Time-resolved broadband Raman spectroscopies: A unified six-wave-mixing representation
Excited-state vibrational dynamics in molecules can be studied by an electronically off-
resonant Raman process induced by a probe pulse with variable delay with respect to an …
resonant Raman process induced by a probe pulse with variable delay with respect to an …