Understanding the surface hopping view of electronic transitions and decoherence

JE Subotnik, A Jain, B Landry, A Petit… - Annual review of …, 2016 - annualreviews.org
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 …

Nonlinear optical signals and spectroscopy with quantum light

KE Dorfman, F Schlawin, S Mukamel - Reviews of Modern Physics, 2016 - APS
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 …

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) …

Simulating coherent multidimensional spectroscopy of nonadiabatic molecular processes: From the infrared to the x-ray regime

M Kowalewski, BP Fingerhut, KE Dorfman… - Chemical …, 2017 - ACS Publications
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 …

Ultrafast Conformational Dynamics of Electron Transfer in ExBox4+⊂Perylene

RM Young, SM Dyar, JC Barnes… - The Journal of …, 2013 - ACS Publications
Multielectron acceptors are essential components for artificial photosynthetic systems that
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 …

QM/AMOEBA description of properties and dynamics of embedded molecules

M Nottoli, M Bondanza, P Mazzeo… - Wiley …, 2023 - Wiley Online Library
We describe the development, implementation, and application of a polarizable QM/MM
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 …

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 …

Time-resolved broadband Raman spectroscopies: A unified six-wave-mixing representation

KE Dorfman, BP Fingerhut, S Mukamel - The Journal of chemical …, 2013 - pubs.aip.org
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 …