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A Witness for Coherent Electronic vs Vibronic-Only Oscillations in Ultrafast Spectroscopy
(American Institute of Physics, 2012)
We report a conceptually straightforward witness that distinguishes coherent electronic oscillations from their vibronic-only counterparts in nonlinear optical spectra of molecular aggregates. Coherent oscillations as a ...
Coherent Exciton Dynamics in Supramolecular Light-Harvesting Nanotubes Revealed by Ultrafast Quantum Process Tomography
(American Chemical Society (ACS), 2014)
Long-lived exciton coherences have been recently observed in photosynthetic complexes via ultrafast spectroscopy, opening exciting possibilities for the study and design of coherent exciton transport. Yet, ambiguity in the ...
Quantum process tomography of excitonic dimers from two-dimensional electronic spectroscopy. I. General theory and application to homodimers
(AIP Publishing, 2011)
Is it possible to infer the time evolving quantum state of a multichromophoric system from a sequence of two-dimensional electronic spectra (2D-ES) as a function of waiting time? Here we provide a positive answer for a ...
Remarks on time-dependent [current]-density functional theory for open quantum systems
(Royal Society of Chemistry, 2013)
Time-dependent [current]-density functional theory for open quantum systems (OQS) has emerged as a formalism that can incorporate dissipative effects in the dynamics of many-body quantum systems. Here, we review and clarify ...
Open Quantum Systems: Density Matrix Formalism and Applications
(Springer, 2012)
In its original formulation, TDDFT addresses the isolated dynamics of electronic systems evolving unitarily (Runge and Gross 1984). However, there exist many situations in which the electronic degrees of freedom are not ...
Time-Dependent Density Functional Theory for Open Quantum Systems with Unitary Propagation
(The American Physical Society, 2010)
We extend the Runge-Gross theorem for a very general class of open quantum systems under weak assumptions about the nature of the bath and its coupling to the system. We show that for Kohn-Sham (KS) time-dependent density ...
Characterization and Quantification of the Role of Coherence in Ultrafast Quantum Biological Experiments Using Quantum Master Equations, Atomistic Simulations, and Quantum Process Tomography
(Elsevier, 2011)
Long-lived electronic coherences in various photosynthetic complexes at cryogenic and room temperature have generated vigorous efforts both in theory and experiment to understand their origins and explore their potential ...
Quantum Process Tomography of Multichromophoric Systems via Ultrafast Spectroscopy
(2011)
The description of excited state dynamics in multichromophoric systems constitutes both a theoretical and experimental challenge in modern physical chemistry. An experimental protocol which can systematically characterize ...
Practical witness for electronic coherences
(AIP Publishing, 2014)
The origin of the coherences in two-dimensional spectroscopy of photosynthetic complexes remains disputed. Recently, it has been shown that in the ultrashort-pulse limit, oscillations in a frequency-integrated pump-probe ...
Quantum state and process tomography of energy transfer systems via ultrafast spectroscopy
(Proceedings of the National Academy of Sciences, 2011)
The description of excited state dynamics in energy transfer systems constitutes a theoretical and experimental challenge in modern chemical physics. A spectroscopic protocol that systematically characterizes both coherent ...