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List of works by Shaul Mukamel

2D optical photon echo spectroscopy of a self-assembled quantum dot

2D-IR experiments and simulations of the coupling between amide-I and ionizable side chains in proteins: application to the Villin headpiece

scientific article

A Machine Learning Protocol for Predicting Protein Infrared Spectra

scientific article published on 30 October 2020

A Quantum Chemical Interpretation of Two-Dimensional Electronic Spectroscopy of Light-Harvesting Complexes

scientific article published on 17 May 2017

A classical theory of pump–probe photodissociation for arbitrary pulse durations

scientific article published in September 1990

A coherent nonlinear optical signal induced by electron correlations

scientific article

A continued fraction resummation form of bath relaxation effect in the spin-boson model ⬇️

scientific article

A neural network protocol for electronic excitations of N-methylacetamide

scientific article published on 30 May 2019

A unified description of sum frequency generation, parametric down conversion and two-photon fluorescence

scientific article

Ab initio simulations of two-dimensional electronic spectra: The SOS//QM/MM approach

Aggregation-Induced Intersystem Crossing: Rational Design for Phosphorescence Manipulation

scientific article published on 05 March 2020

All-forward semiclassical simulations of nonlinear response functions.

scientific article published in July 2004

An Ab Initio Multiple Cloning Method for Non-Adiabatic Excited-State Molecular Dynamics in NWChem

scientific article published on 20 May 2021

Anderson localization in Liouville space: The effective dephasing approximation

scientific article published on 01 February 1988

Anomalous continuous-time random-walk spectral diffusion in coherent third-order optical response.

scientific article

Anomalous lineshapes and aging effects in two-dimensional correlation spectroscopy.

scientific article published in October 2007

Attosecond Charge Migration in Molecules Imaged by Combined X-ray and Electron Diffraction

scientific article published in 2022

Attosecond Monitoring of Nonadiabatic Molecular Dynamics by Transient X-ray Transmission Spectroscopy

scientific article published in 2023

Attosecond X-ray Diffraction Triggered by Core or Valence Ionization of a Dipeptide.

scientific article published on 15 November 2017

Attosecond processes and X-ray spectroscopy: general discussion

scientific article published on 01 December 2016

Autobiography of Shaul Mukamel ⬇️

scientific article published on May 12, 2011

Background-free nonlinear microspectroscopy with vibrational molecular interferometry

scientific article published on 16 December 2011

Bidimensional electronic spectroscopy on indole in gas phase and in water from first principles

Broadband infrared and Raman probes of excited-state vibrational molecular dynamics: simulation protocols based on loop diagrams ⬇️

scientific article published on June 19, 2013

Cascading and local-field effects in non-linear optics revisited: a quantum-field picture based on exchange of photons ⬇️

scientific article published on January 2014

Catching Conical Intersections in the Act: Monitoring Transient Electronic Coherences by Attosecond Stimulated X-Ray Raman Signals ⬇️

scientific article published in Physical Review Letters

Cavity Femtochemistry: Manipulating Nonadiabatic Dynamics at Avoided Crossings.

scientific article

Characterizing the Intermediates Compound I and II in the Cytochrome P450 Catalytic Cycle with Nonlinear X-ray Spectroscopy: A Simulation Study

scientific article published on 14 April 2015

Chemical Bonding and Size-Scaling of Nonlinear Polarizabilities of Conjugated Polymers

scientific article published on 01 November 1996

Chemical imaging of single 4,7,12,15-tetrakis[2.2]paracyclophane by spatially resolved vibrational spectroscopy.

scientific article

Chiral Four-Wave-Mixing signals with circularly-polarized X-ray pulses

scientific article published on 28 July 2020

Chirality-based signatures of local protein environments in two-dimensional optical spectroscopy of two species photosynthetic complexes of green sulfur bacteria: simulation study

scientific article published on August 2008

Chirality-induced signals in coherent multidimensional spectroscopy of excitons

scientific article published in January 2006

Classical chaos and fluctuation-dissipation relations for nonlinear response

scientific article published on 01 January 1996

Coherence and correlations in multitime quantum measurements of stochastic quantum trajectories

scientific article published on 15 March 2006

Coherent (photon) vs incoherent (current) detection of multidimensional optical signals from single molecules in open junctions

scientific article

Coherent Multidimensional Optical Spectroscopy

Coherent control of cross-peaks in chirality-induced two-dimensional optical signals of excitons.

scientific article published in December 2006

Coherent control of long-range photoinduced electron transfer by stimulated X-ray Raman processes

scientific article published on 24 August 2016

Coherent control of pump-probe signals of helical structures by adaptive pulse polarizations

scientific article

Coherent control protocol for separating energy-transfer pathways in photosynthetic complexes by chiral multidimensional signals

scientific article

Coherent femtosecond multidimensional probes of molecular vibrations

scientific article

Coherent infrared multidimensional spectra of the OH stretching band in liquid water simulated by direct nonlinear exciton propagation

scientific article published on May 2009

Coherent low-frequency motions of hydrogen bonded acetic acid dimers in the liquid phase.

scientific article

Coherent multidimensional optical probes for electron correlations and exciton dynamics: from NMR to X-rays

scientific article published on April 2009

Coherent multidimensional optical spectroscopy of excitons in molecular aggregates; quasiparticle versus supermolecule perspectives.

scientific article

Coherent multidimensional vibrational spectroscopy of biomolecules: concepts, simulations, and challenges

scientific article

Coherent nonlinear optical studies of elementary processes in biological complexes: diagrammatic techniques based on the wave function versus the density matrix ⬇️

scientific article published on August 13, 2012

Coherent third-order spectroscopic probes of molecular chirality

scientific article published in April 2005

Coherent two dimensional infrared spectroscopy of a cyclic decapeptide antamanide. A simulation study of the amide-I and A bands

scientific article published on 09 September 2008

Coherent ultrafast core-hole correlation spectroscopy: x-ray analogues of multidimensional NMR

scientific article published on 16 October 2007

Coherent x-ray Raman spectroscopy: a nonlinear local probe for electronic excitations

scientific article published on 09 July 2002

Coherent-control of linear signals: frequency-domain analysis

scientific article published on October 2013

Collective many-body resonances in condensed phase nonlinear spectroscopy

Collective solvent coordinates for the infrared spectrum of HOD in D2O based on an ab initio electrostatic map.

scientific article published in January 2005

Collective two-particle resonances induced by photon entanglement

Combining nanooptical fields and coherent spectroscopy on systems with delocalized excitons

Comment on "Coherence and uncertainty in nanostructured organic photovoltaics".

scientific article published on 26 September 2013

Comment on "Self-Referenced Coherent Diffraction X-Ray Movie of Ångstrom- and Femtosecond-Scale Atomic Motion".

scientific article published on 8 August 2017

Communication: Comment on the effective temporal and spectral resolution of impulsive stimulated Raman signals ⬇️

scientific article published on April 28, 2011

Communication: The origin of many-particle signals in nonlinear optical spectroscopy of non-interacting particles

scientific article

Communication: atomic force detection of single-molecule nonlinear optical vibrational spectroscopy

scientific article

Communications: Signatures of quasiparticle entanglement in multidimensional nonlinear optical spectroscopy of aggregates

scientific article published on 01 June 2010

Comprehensive Experimental and Computational Spectroscopic Study of Hexacyanoferrate Complexes in Water: From Infrared to X-ray Wavelengths

scientific article published on 09 May 2018

Computational studies on electron and proton transfer in phenol-imidazole-base triads.

scientific article published in January 2010

Control of Intrachromophore Excitonic Coherence in Electroluminescent Conjugated Dendrimers

Controlling multidimensional off-resonant-Raman and infrared vibrational spectroscopy by finite pulse band shapes

scientific article

Controlling stimulated coherent spectroscopy and microscopy by a position-dependent phase

scientific article

Cooperative effects in photon statistics of molecular dimers with spectral diffusion.

scientific article

Cooperative nonlinear optical response of molecular aggregates: Crossover to bulk behavior

scientific article published on 01 March 1991

Cooperative radiative decay in the nonlinear optical response of excitonic nanostructures

scientific article published on 01 July 1993

Cooperative radiative decay of disordered molecular monolayers

scientific article published on 01 August 1994

Core and valence excitations in resonant X-ray spectroscopy using restricted excitation window time-dependent density functional theory ⬇️

scientific article published on November 21, 2012

Correction to "The Photoionization Time in Conjugated Molecular Systems"

scientific article published on 24 August 2020

Correction to "Wigner-Lindblad Equations for Quantum Friction"

scientific article published on 13 June 2018

Correlated hydrogen bonding fluctuations and vibrational cross peaks in N-methyl acetamide: simulation based on a complete electrostatic density functional theory map.

scientific article published in November 2006

Coupled Electronic and Nuclear Motions during Azobenzene Photoisomerization Monitored by Ultrafast Electron Diffraction

scientific article published on 24 January 2022

Current vs Charge Density Contributions to Nonlinear X-ray Spectroscopy.

scientific article

Deep UV Resonance Raman Spectroscopy of β-Sheet Amyloid Fibrils: A QM/MM Simulation ⬇️

scientific article published on November 7, 2011

Density matrix analysis and simulation of electronic excitations in conjugated and aggregated molecules

scientific article published on 01 September 2002

Dephasing-induced vibronic resonances in difference frequency generation spectroscopy.

scientific article published on April 2005

Description of nonlinear optical response using phase space wave packets

article

Diffraction-Detected Sum Frequency Generation: Novel Ultrafast X-ray Probe of Molecular Dynamics

article

Direct evidence of quantum transport in photosynthetic light-harvesting complexes

scientific article published on 13 December 2011

Discriminating early stage A{beta}42 monomer structures using chirality-induced 2DIR spectroscopy in a simulation study

scientific article

Disentangling Peptide Configurations via Two-Dimensional Electronic Spectroscopy: Ab Initio Simulations Beyond the Frenkel Exciton Hamiltonian

scientific article

Disentangling multidimensional femtosecond spectra of excitons by pulse shaping with coherent control

scientific article

Disorder and funneling effects on exciton migration in treelike dendrimers

Dissecting Two-Dimensional Ultraviolet Spectra of Amyloid Fibrils into Beta-Strand and Turn Contributions ⬇️

scientific article published on July 13, 2012

Dissecting biexciton wave functions of self-assembled quantum dots by double-quantum-coherence optical spectroscopy

scholarly article in Physical Review B, vol. 86 no. 23, December 2012

Dissecting coherent vibrational spectra of small proteins into secondary structural elements by sensitivity analysis

scientific article

Distinguishing amyloid fibril structures in Alzheimer's disease (AD) by two-dimensional ultraviolet (2DUV) spectroscopy

scientific article

Double-core excitations in formamide can be probed by X-ray double-quantum-coherence spectroscopy

scientific article published on April 2013

Double-quantum resonances and exciton-scattering in coherent 2D spectroscopy of photosynthetic complexes

scientific article

Effect of quantum collapse on the distribution of work in driven single molecules

scientific article published on 23 July 2004

Effective temporal resolution in pump-probe spectroscopy with strongly chirped pulses

Efficient fluoride-selective fluorescent host: experiment and theory

scientific article published in February 2004

Electroluminescence in Molecular Junctions: A Diagrammatic Approach

scientific article published on 21 August 2015

Electronic and non-adiabatic dynamics: general discussion

scientific article published on 01 December 2016

Electronic coherence and nonlinear susceptibilities of conjugated polyenes

scientific article published on 01 October 1994

Electrostatic DFT map for the complete vibrational amide band of NMA.

scientific article

Electrostatic interactions in phospholipid membranes revealed by coherent 2D IR spectroscopy.

scholarly article

Energy flow between spectral components in 2D broadband stimulated Raman spectroscopy

scientific article

Energy, Particle, and Photon Fluxes in Molecular Junctions

scientific article published on 19 February 2020

Energy-transfer and charge-separation pathways in the reaction center of photosystem II revealed by coherent two-dimensional optical spectroscopy ⬇️

scientific article published on November 14, 2010

Entangled Two-Photon Absorption Spectroscopy

scientific article published on 04 September 2018

Entangled Valence Electron–Hole Dynamics Revealed by Stimulated Attosecond X-ray Raman Scattering ⬇️

scientific article published on August 8, 2012

Entropy fluctuation theorems in driven open systems: application to electron counting statistics

scientific article published on 26 September 2007

Erratum: Nonlinear susceptibilities of molecular aggregates: Enhancement of chi (3) by size

scientific article

Exciton annihilation on dendrimeric trees

article published in 2005

Exciton coherence and electron energy loss spectroscopy of conjugated molecules

scientific article published on 01 February 2001

Exciton coherence length fluctuations in chromophore aggregates probed by multidimensional optical spectroscopy

scientific article

Exciton confinement and nonlocal nonlinear optical response of organic quantum wells

scientific article published on 01 June 1994

Exciton confinement in organic dendrimer quantum wells for opto-electronic applications

Exciton delocalization and transport in photosystem I of cyanobacteria Synechococcus elongates: simulation study of coherent two-dimensional optical signals

scientific article

Exciton dynamics in chromophore aggregates with correlated environment fluctuations ⬇️

scientific article published on May 7, 2011

Exciton-scattering mechanism for enhanced nonlinear response of molecular nanostructures

scientific article published on 01 July 1992

Excitonic Funneling in Extended Dendrimers with Nonlinear and Random Potentials

scientific article published in Physical Review Letters

Excitonic couplings and electronic coherence in bridged naphthalene dimers

scientific article published on November 1999

Excitonic couplings and interband energy transfer in a double-wall molecular aggregate imaged by coherent two-dimensional electronic spectroscopy

scientific article published in August 2009

Excitons and disorder in molecular nanotubes: a 2D electronic spectroscopy study and first comparison to a microscopic model

scientific article published on 01 August 2010

Experimental determination of the quantum-mechanical state of a molecular vibrational mode using fluorescence tomography

scientific article published on 01 February 1995

Exploring the aggregation propensity of γS-crystallin protein variants using two-dimensional spectroscopic tools

scientific article

Exploring the capabilities of optical pump X-ray probe NEXAFS spectroscopy to track photo-induced dynamics mediated by conical intersections

scientific article published on 01 December 2019

Extracting single and two-exciton couplings in photosynthetic complexes by coherent two-dimensional electronic spectra

scientific article

Femtosecond Spectroscopic Signatures of Electronic Correlations in Conjugated Polyenes and Semiconductor Nanostructures

scientific article published on 01 October 1996

Femtosecond Two-Dimensional Raman Spectroscopy of Liquid Water

article

Femtosecond covariance spectroscopy

scientific article published on 28 February 2019

Femtosecond pump-probe spectroscopy of conjugated polymers: Coherent and sequential contributions

scientific article published on 01 April 1992

Femtosecond pump-probe spectroscopy of polyatomic molecules in condensed phases

scientific article published on 01 June 1990

Femtosecond pump–probe spectroscopy of intermolecular vibrations in molecular dimers

article

Femtosecond pump–probe spectroscopy of the dendrimeric nanostar

Femtosecond stimulated Raman spectroscopy of the cyclobutane thymine dimer repair mechanism: a computational study

scientific article

First-principles simulation of amide and aromatic side chain ultraviolet spectroscopy of a cyclic dipeptide.

scientific article published on 17 October 2007

Fluctuation theorems for quantum master equations

scientific article published on 24 April 2006

Fluorescence spectroscopy of vibronic polaritons of molecular aggregates in optical microcavities

Four-wave mixing using partially coherent fields in systems with spatial correlations

scientific article published on 01 February 1986

Frequency distribution of the amide-I vibration sorted by residues in amyloid fibrils revealed by 2D-IR measurements and simulations

scientific article published on 6 March 2012

Frequency-, Time-, and Wavevector-Resolved Ultrafast Incoherent Diffraction of Noisy X-ray Pulses

scientific article published on 19 September 2019

Frequency-domain stimulated and spontaneous light emission signals at molecular junctions

scientific article

Future challenges: general discussion

scientific article published on January 2015

Gaussian phase-space representation of fermion dynamics: Beyond the time-dependent Hartree-Fock approximation

scholarly article in Physical Review B, vol. 79 no. 16, April 2009

Generalized Kramers-Heisenberg expressions for stimulated Raman scattering and two-photon absorption

scientific article

Generalized semiconductor Bloch equations: Local fields and transient gratings

scientific article published in November 1991

Geometry and Excitation Energy Fluctuations of NMA in Aqueous Solution with CHARMM, AMBER, OPLS, and GROMOS Force Fields: Implications for Protein Ultraviolet Spectra Simulation

scientific article published on February 2008

Geometry determination of complexes in a molecular liquid mixture using electron–vibration–vibration two-dimensional infrared spectroscopy with a vibrational transition density cube method ⬇️

scientific article published on September 19, 2012

Giant photon gain in large-scale quantum dot-circuit QED systems ⬇️

scholarly article in Physical Review B, vol. 94 no. 12, September 2016

Heat fluctuations and coherences in a quantum heat engine

Imaging electron-density fluctuations by multidimensional X-ray photon-coincidence diffraction

scientific article published on 24 December 2018

Imaging of transition charge densities involving carbon core excitations by all X-ray sum-frequency generation ⬇️

scientific article published on 01 May 2019

Impulsive UV-pump/X-ray probe study of vibrational dynamics in glycine

scientific article published in Scientific Reports

Impulsive pump-probe and photon-echo spectroscopies of dye molecules in condensed phases

scientific article published on 01 December 1990

In Silico Ultrafast Nonlinear Spectroscopy Meets Experiments: The Case of Perylene Bisimide Dye

scientific article published on 22 October 2021

Indistinguishability and correlations of photons generated by quantum emitters undergoing spectral diffusion

scientific article published on 10 February 2014

Influence of Structural and Rotational Isomerism on the Triplet Blinking of Individual Dendrimer Molecules J.H. thanks the FWO for a post-doctoral fellowship. T.V. wishes to thank the I.W.T. for a doctoral fellowship. Financial support by the FWO, t

Intermolecular forces, spontaneous emission, and superradiance in a dielectric medium: Polariton-mediated interactions

scientific article published on 01 December 1989

Interplay of slow bath fluctuations and energy transfer in 2D spectroscopy of the FMO light-harvesting complex: benchmarking of simulation protocols

scientific article published on 10 November 2009

Investigation of electronic coupling in semiconductor double quantum wells using coherent optical two-dimensional Fourier transform spectroscopy

Investigations of Molecular Optical Properties Using Quantum Light and Hong–Ou–Mandel Interferometry

scientific article

Isolating excitonic Raman coherence in semiconductors using two-dimensional correlation spectroscopy

scientific article published in December 2008

Lindblad equations for strongly coupled populations and coherences in photosynthetic complexes

scientific article

Linear and nonlinear frequency- and time-domain spectroscopy with multiple frequency combs

scientific article published in September 2017

Local and Global Dynamics: general discussion

scientific article published on 01 January 2015

Machine Learning Protocol for Surface-Enhanced Raman Spectroscopy

scientific article published on 26 September 2019

Manipulating Attosecond Charge Migration in Molecules by Optical Cavities

scientific article published in 2023

Manipulating Impulsive Stimulated Raman Spectroscopy with a Chirped Probe Pulse

scientific article published on 8 February 2017

Manipulating Two-Photon-Absorption of Cavity-Polaritons by Entangled Light

scientific article published on 02 September 2020

Manipulating molecules with quantum light

scientific article published on 16 March 2017

Manipulating multidimensional electronic spectra of excitons by polarization pulse shaping

scientific article

Manipulating stimulated coherent anti-Stokes Raman spectroscopy signals by broad-band and narrow-band pulses

scientific article

Many-body approaches for simulating coherent nonlinear spectroscopies of electronic and vibrational excitons

scientific article published on April 2004

Many-body effects in molecular photoionization in intense laser fields; time-dependent Hartree-Fock simulations

scientific article published in January 2004

Melting and the electronic absorption of benzene-argon clusters

scientific article published in Physical Review Letters

Microscopic theory of photoacoustic pulse generation. III. Excited-state polarization transfer to the solvent

scientific article published on 01 January 1986

Minimal Model of Quantum Kinetic Clusters for the Energy-Transfer Network of a Light-Harvesting Protein Complex

scientific article published on 23 March 2015

Modeling the high-energy electronic state manifold of adenine: Calibration for nonlinear electronic spectroscopy

scientific article published on June 2015

Modelling time-resolved two-dimensional electronic spectroscopy of the primary photoisomerization event in rhodopsin

scientific article

Molecular Structure and Modeling of Water-Air and Ice-Air Interfaces Monitored by Sum-Frequency Generation

scientific article published on 06 March 2020

Molecular mechanism of water reorientational slowing down in concentrated ionic solutions.

scientific article published on 5 September 2017

Monitoring Long-Range Electron Transfer Pathways in Proteins by Stimulated Attosecond Broadband X-ray Raman Spectroscopy

scientific article

Monitoring Nonadiabatic Dynamics of the RNA Base Uracil by UV Pump–IR Probe Spectroscopy ⬇️

scientific article published on June 6, 2013

Monitoring Nonadiabatic Electron-Nuclear Dynamics in Molecules by Attosecond Streaking of Photoelectrons. ⬇️

scientific article

Monitoring Spontaneous Charge-Density Fluctuations by Single-Molecule Diffraction of Quantum Light

scientific article published on 06 February 2019

Monitoring Ultrafast Spin Crossover Intermediates in an Iron(II) Complex by Broad Band Stimulated X-ray Raman Spectroscopy

scientific article published on 06 August 2018

Monitoring aromatic ring-currents in Mg-porphyrin by time-resolved circular dichroism

scientific article published on 17 November 2020

Monitoring conical intersections in the ring opening of furan by attosecond stimulated X-ray Raman spectroscopy

scientific article

Monitoring molecular nonadiabatic dynamics with femtosecond X-ray diffraction

scientific article published on 11 June 2018

Monitoring nonadiabatic avoided crossing dynamics in molecules by ultrafast X-ray diffraction.

scientific article published on 26 May 2017

Monitoring polariton dynamics in the LHCII photosynthetic antenna in a microcavity by two-photon coincidence counting.

scientific article published in February 2018

Monitoring the Folding of Trp-Cage Peptide by Two-Dimensional Infrared (2DIR) Spectroscopy ⬇️

scientific article published on 05 April 2013

Multidimensional Attosecond Resonant X-Ray Spectroscopy of Molecules: Lessons from the Optical Regime ⬇️

scientific article published on December 10, 2012

Multidimensional Measures of Response and Fluctuations in Stochastic Dynamical Systems

scientific article published on October 2012

Multidimensional attosecond photoelectron spectroscopy with shaped pulses and quantum optical fields

Multidimensional characterization of stochastic dynamical systems based on multiple perturbations and measurements

scientific article published in June 2015

Multidimensional femtosecond correlation spectroscopies of electronic and vibrational excitations

scientific article

Multidimensional measures of impulsively driven stochastic systems based on the Kullback-Leibler distance.

scientific article

Multidimensional optical spectroscopy of a single molecule in a current-carrying state.

scientific article

Multidimensional photon correlation spectroscopy of cavity polaritons

scientific article published on 31 January 2018

Multidimensional pump-probe spectroscopy with entangled twin-photon states

scientific article

Multidimensional spectroscopy with a single broadband phase-shaped laser pulse ⬇️

scientific article

Multidimensional spectroscopy with entangled light: loop vs ladder delay scanning protocols ⬇️

scientific article

Multidimensional x-ray spectroscopy of valence and core excitations in cysteine

scientific article published on April 2013

Multiple Core and Vibronic Coupling Effects in Attosecond Stimulated X-Ray Raman Spectroscopy (SXRS).

scientific article published on December 2013

Multiple Decay Mechanisms and 2D-UV Spectroscopic Fingerprints of Singlet Excited Solvated Adenine-Uracil Monophosphate.

scientific article published on 26 April 2016

Multiple quantum coherences in liquid state NMR and nonlinear optics: collective vs local origin

Multipoint correlation functions for continuous-time random walk models of anomalous diffusion.

scientific article published on 27 September 2005

Multiscale wavelet decomposition of time-resolved X-ray diffraction signals in cyclohexadiene

article published in the Proceedings of the National Academy of Sciences of the United States of America

Multistate quantum Fokker–Planck approach to nonadiabatic wave packet dynamics in pump–probe spectroscopy

article

N-H stretching excitations in adenosine-thymidine base pairs in solution: pair geometries, infrared line shapes, and ultrafast vibrational dynamics.

scientific article published on 7 January 2013

N-H stretching modes of adenosine monomer in solution studied by ultrafast nonlinear infrared spectroscopy and ab initio calculations

scientific article

Non-adiabatic dynamics of molecules in optical cavities ⬇️

scientific article published in February 2016

Non-linear non-local molecular electrodynamics with nano-optical fields. ⬇️

scientific article

Non-local real-space analysis of chiral optical signals

scientific article

Nonadiabatic Dynamics May Be Probed through Electronic Coherence in Time-Resolved Photoelectron Spectroscopy

scientific article published on 8 January 2016

Nonequilibrium fluctuations, fluctuation theorems, and counting statistics in quantum systems

article published in 2009

Nonequilibrium superoperator GW equations.

scientific article

Nonimpact degenerate four-wave mixing in Na perturbed by He

scientific article published on 01 October 1989

Nonlinear Spectroscopy of Core and Valence Excitations Using Short X-Ray Pulses: Simulation Challenges

scientific article published on 12 April 2015

Nonlinear light scattering in molecules triggered by an impulsive X-ray Raman process

scientific article published on May 2013

Nonlinear optical response in condensed phases: A microscopic theory using the multipolar Hamiltonian

scientific article published on 01 April 1990

Nonlinear optical response of conjugated polymers: Electron-hole anharmonic-oscillator picture

scientific article published on 01 July 1992

Nonlinear optical signals and spectroscopy with quantum light ⬇️

article by Konstantin E. Dorfman et al published 28 December 2016 in Reviews of Modern Physics

Nonlinear optical spectroscopy of single, few, and many molecules; nonequilibrium Green's function QED approach ⬇️

scientific article published on February 1, 2008

Nonlinear optics using the multipolar Hamiltonian: The Bloch-Maxwell equations and local fields

scientific article published in February 1989

Nonlinear response of vibrational excitons: simulating the two-dimensional infrared spectrum of liquid water.

scientific article published on May 2009

Nonlinear response theory in chemical kinetics

scientific article published on January 2014

Nonlinear susceptibilities of molecular aggregates: Enhancement of chi (3) by size

scientific article published on 01 November 1989

Nonlocal electrodynamics of arrays of quantum dots

scientific article published on 01 July 1995

Novel coherent two-dimensional optical spectroscopy probes of chirality exchange and fluctuations in molecules

scientific article published on November 2011

Novel photochemistry of molecular polaritons in optical cavities.

scientific article published on 29 September 2016

On the Resolution Limit of Femtosecond Stimulated Raman Spectroscopy: Modelling Fifth-Order Signals with Overlapping Pulses

scientific article

On the Simulation of Two-dimensional Electronic Spectroscopy of Indole-containing Peptides.

scientific article published on 5 April 2017

One-dimensional transport with dynamic disorder

scientific article published on 11 July 2003

Optical Stark Spectroscopy of a Brownian Oscillator in Intense Fields

Optical coherence and theoretical study of the excitation dynamics of a highly symmetric cyclophane-linked oligophenylenevinylene dimer

scientific article published on 01 May 2006

Optical properties of Wannier excitons in the linear and weakly nonlinear regime

scientific article published on 01 August 1990

Optically Excited Entangled States in Organic Molecules Illuminate the Dark

scientific article published on 5 June 2013

Phase Cycling RT-TDDFT Simulation Protocol for Nonlinear XUV and X-ray Molecular Spectroscopy

scientific article published on 12 February 2018

Phase-space algorithm for simulating quantum nonlinear response functions of bosons using stochastic classical trajectories

scientific article published on 12 October 2010

Phonon and fracton vibrational modes in disordered harmonic structures: A self-consistent theory

scientific article published on 01 November 1986

Photoinduced molecular chirality probed by ultrafast resonant X-ray spectroscopy ⬇️

scientific article

Photon entanglement signatures in difference-frequency-generation

scientific article

Photosynthetic reaction center as a quantum heat engine ⬇️

scientific article published on January 30, 2013

Polariton-Assisted Cooperativity of Molecules in Microcavities Monitored by Two-Dimensional Infrared Spectroscopy

scientific article published on 24 July 2019

Preface: Special Topic on Multidimensional Spectroscopy

scientific article

Probing Amyloid Fibril Growth by Two-Dimensional Near-Ultraviolet Spectroscopy ⬇️

scientific article published on April 25, 2011

Probing Delocalized Current Densities in Selenophene by Resonant X-ray Sum-Frequency Generation

scientific article published on 04 December 2020

Probing Molecular Chirality by Orbital-Angular-Momentum-Carrying X-ray Pulses

scientific article published on 05 June 2019

Probing Ring Currents in Mg-Porphyrins by Pump–Probe Spectroscopy ⬇️

scientific article published on August 10, 2012

Probing anomalous relaxation by coherent multidimensional optical spectroscopy.

scientific article published on 22 February 2007

Probing chirality fluctuations in molecules by nonlinear optical spectroscopy ⬇️

scientific article

Probing deactivation pathways of DNA nucleobases by two-dimensional electronic spectroscopy: first principles simulations

scientific article published in January 2015

Probing electron correlations in molecules by two-dimensional coherent optical spectroscopy

scientific article

Probing electronic and vibrational dynamics in molecules by time-resolved photoelectron, Auger-electron, and X-ray photon scattering spectroscopy

scientific article

Probing interactions between core-electron transitions by ultrafast two-dimensional x-ray coherent correlation spectroscopy

scientific article published in May 2008

Probing intermolecular couplings in liquid water with two-dimensional infrared photon echo spectroscopy.

scientific article published in May 2008

Probing many-particle correlations in semiconductor quantum wells using double-quantum-coherence signals

scientific article

Probing multiple core-hole interactions in the nitrogen K-edge of DNA base pairs by multidimensional attosecond X-ray spectroscopy. A simulation study

scientific article

Probing the Conical Intersection Dynamics of the RNA Base Uracil by UV-Pump Stimulated-Raman-Probe Signals; Ab Initio Simulations

scientific article published on 22 January 2014

Probing the folding of mini-protein Beta3s by two-dimensional infrared spectroscopy; simulation study

scientific article

Pump−Probe Simulation Study of the Two-Exciton Manifold of Dendrimers†

Pyrene, a Test Case for Deep-Ultraviolet Molecular Photophysics

scientific article published on 11 June 2019

Quantum extension of the Jarzynski relation: analogy with stochastic dephasing

scientific article

Quantum field, interference, and entanglement effects in nonlinear optical spectroscopy

Quantum heat engines: A thermodynamic analysis of power and efficiency

Quantum oscillatory exciton migration in photosynthetic reaction centers

scientific article published in August 2010

Quantum phase-sensitive diffraction and imaging using entangled photons

scientific article published on 23 May 2019

Radiative decay and energy transfer in molecular aggregates: The role of intermolecular dephasing

scientific article published on 01 May 1988

Real Space Analysis of Excitonic Interactions and Coherence Length in Helical Aggregates†

Real versus virtual excitonic Stark effect in semiconductor quantum wells

scientific article published on 01 December 1990

Real-space coupled-oscillator approach to the radiative decay of conjugated polymers

scientific article published on 01 July 1995

Real-time path-integral approach to quantum coherence and dephasing in nonadiabatic transitions and nonlinear optical response

article

Reconstruction of the wave functions of coupled nanoscopic emitters using a coherent optical technique

scholarly article in Physical Review B, vol. 86 no. 8, August 2012

Relaxation processes in systems strongly coupled to a harmonic bath

Reply to Stirnemann et al.: Frame retardation is the key reason behind the general slowdown of water reorientation dynamics in concentrated electrolytes

scientific article published on 10 May 2018

Reply to “Comment on ‘Nonlinear fluctuations and dissipation in matter revealed by quantum light’ ”

Resolving the Electron Transfer Kinetics in the Bacterial Reaction Center by Pulse Polarized 2-D Photon Echo Spectroscopy

scientific article published on 22 June 2012

Resonant X-ray Sum-Frequency-Generation Spectroscopy of K-Edges in Acetyl Fluoride

scientific article published on 26 November 2019

Resonant enhancement and dissipation in nonequilibrium van der Waals forces

scientific article published on 03 December 2003

Response to "Comment on 'Frequency-domain stimulated and spontaneous light emission signals at molecular junctions'" [J. Chem. Phys. 142, 137101 (2015)].

scientific article published in April 2015

Reversible switching among three adsorbate configurations in a single [2.2]paracyclophane-based molecule.

scientific article

Roadmap of ultrafast x-ray atomic and molecular physics

Role of water in electron-initiated processes and radical chemistry: issues and scientific advances

scientific article

STM Imaging of Electron Migration in Real Space and Time: A Simulation Study

scientific article published on 23 September 2019

Scattering-Based Geometric Shaping of Photon-Photon Interactions

scientific article published on 01 December 2019

Self-broadening and exciton line shifts in gases: Beyond the local-field approximation

scientific article published on 01 January 1994

Self-consistent mode-coupling theory of quantum percolation

scientific article published on 01 June 1986

Sensitivity of 2D IR spectra to peptide helicity: a concerted experimental and simulation study of an octapeptide

scientific article published on September 2009

Signatures of Conical Intersection Mediated Relaxation Dynamics in Time-Resolved Broadband Raman Detection

Signatures of beta-peptide unfolding in two-dimensional vibrational echo spectroscopy: a simulation study

scientific article published in April 2001

Signatures of the Protein Folding Pathway in Two-Dimensional Ultraviolet Spectroscopy

scientific article published on 19 March 2014

Simulating Coherent Multidimensional Spectroscopy of Nonadiabatic Molecular Processes: From the Infrared to the X-ray Regime.

scientific article published on 26 September 2017

Simulating Valence-to-Core X-ray Emission Spectroscopy of Transition Metal Complexes with Time-Dependent Density Functional Theory.

scientific article

Simulation and visualization of attosecond stimulated x-ray Raman spectroscopy signals in trans-N-methylacetamide at the nitrogen and oxygen K-edges ⬇️

scientific article published on March 28, 2011

Simulation of X-ray absorption near edge spectra of organometallic compounds in the ground and optically excited states

scientific article published in February 2007

Simulation of single molecule inelastic electron tunneling signals in paraphenylene-vinylene oligomers and distyrylbenzene[2.2]paracyclophanes.

scientific article published in May 2006

Simulation of the femtosecond optical response of a solute in water

scientific article published in Physical Review Letters

Simulation of the intermolecular vibrational spectra of liquid water and water clusters

scientific article published on 15 March 1993

Simulation of two-dimensional infrared spectroscopy of amyloid fibrils

scholarly article

Simulation of two-dimensional ultraviolet spectroscopy of amyloid fibrils

scientific article

Simulation of x-ray absorption near edge spectra of electronically excited ruthenium tris-2,2'-bipyridine.

scientific article published in December 2004

Simulation of x-ray absorption near-edge spectra and x-ray fluorescence spectra of optically excited molecules

scientific article published in March 2006

Simulation protocols for coherent femtosecond vibrational spectra of peptides

scientific article published on February 2006

Simulation strategies and signatures of chaos in classical nonlinear response.

scientific article

Simulation study of chiral two-dimensional ultraviolet spectroscopy of the protein backbone

scientific article

Simulations of Two-dimensional Infrared and Stimulated Resonance Raman Spectra of Photoactive Yellow Protein

scientific article published on August 2013

Simulations of the two-dimensional electronic spectroscopy of the photosystem II reaction center.

scientific article published on 20 December 2012

Single-atom versus coherent pressure-induced extra resonances in four-photon processes

scientific article published on 01 March 1983

Single-electron counting spectroscopy: simulation study of porphyrin in a molecular junction.

scientific article

Size scaling of intramolecular charge transfer driven optical properties of substituted polyenes and polyynes

Soft X-ray Spectroscopy Simulations with Multiconfigurational Wave Function Theory: Spectrum Completeness, Sub-eV Accuracy, and Quantitative Reproduction of Line Shapes

scientific article published on 24 January 2022

Solvation Structure in the Time Resolved Stokes Shift and Adiabatic Electron Transfer

scientific article published in January 1991

Solvation structure and the time‐resolved Stokes shift in non‐Debye solvents

scientific article published on 15 July 1990

Spectral diffusion at the water/lipid interface revealed by two-dimensional fourth-order optical spectroscopy: a classical simulation study

scientific article

Spectral lineshapes in nonlinear electronic spectroscopy

scientific article published on 18 June 2015

Spectroscopic fingerprints of DNA/RNA pyrimidine nucleobases in third-order nonlinear electronic spectra

Stacking effect of polyfluorene on the chemical shift and electron transport

scientific article published in February 2005

Stimulated Raman Spectroscopy With Femtosecond Optical Or Attosecond X-Ray Pulses

Stimulated Raman Spectroscopy with Entangled Light: Enhanced Resolution and Pathway Selection

scientific article

Stimulated Raman signals at conical intersections: Ab initio surface hopping simulation protocol with direct propagation of the nuclear wave function

scientific article published in July 2015

Stimulated X-ray Raman Imaging of Conical Intersections

scientific article published on 12 December 2019

Stimulated X-ray Raman and Absorption Spectroscopy of Iron-Sulfur Dimers

scientific article published on 16 October 2019

Stimulated X-ray Resonant Raman Spectroscopy of Conical Intersections in Thiophenol

scientific article published on 05 May 2020

Stimulated coherent anti-Stokes Raman spectroscopy (CARS) resonances originate from double-slit interference of two-photon Stokes pathways

scientific article

Stochastic Liouville equation simulation of multidimensional vibrational line shapes of trialanine

scientific article published in December 2004

Stochastic Liouville equations for coherent multidimensional spectroscopy of excitons.

scientific article published on 17 October 2008

Stochastic Liouville equations for femtosecond stimulated Raman spectroscopy ⬇️

scientific article

Stochastic Liouville equations for hydrogen-bonding fluctuations and their signatures in two-dimensional vibrational spectroscopy of water

scientific article published in September 2005

Stochastic simulation of chemical exchange in two dimensional infrared spectroscopy.

scientific article published in July 2006

Stochastic theory of time-resolved four-wave mixing in interacting media

scientific article published on 01 August 1991

Structure, dynamics, and the electronic absorption of benzene–argon clusters

scientific article published in January 1992

Study of double core hole excitations in molecules by X-ray double-quantum-coherence signals: a multi-configuration simulation

scientific article published on 12 May 2016

Study of the γD-Crystallin Protein Using Two-Dimensional Infrared (2DIR) Spectroscopy: Experiment and Simulation ⬇️

scientific article published on September 18, 2013

Superoperator representation of nonlinear response: Unifying quantum field and mode coupling theories ⬇️

scientific article published on August 26, 2003

Suppression of photon-echo as a signature of chaos

scientific article published on December 2008

Suppression of population transport and control of exciton distributions by entangled photons

scientific article published on January 2013

Temperature dependence and non-Condon effects in pump–probe spectroscopy in the condensed phase

Temperature-dependent superradiant decay of excitons in small aggregates

scientific article published on 01 July 1990

The Photo-Ionization Time in π -Conjugated Molecular Systems

scientific article published on 17 June 2020

The highly excited-state manifold of guanine: calibration for nonlinear electronic spectroscopy simulations

The origin of vibrational mode couplings in various secondary structural motifs of polypeptides

scientific article published on 2 January 2004

The proton momentum distribution in strongly H-bonded phases of water: A critical test of electrostatic models ⬇️

scientific article published on October 14, 2011

Three-dimensional attosecond resonant stimulated X-ray Raman spectroscopy of electronic excitations in core-ionized glycine

scientific article

Three-dimensional nonlinear optical chromophores based on through-space delocalization

scientific article published in November 2002

Time and frequency resolved transient-absorption and stimulated-Raman signals of stochastic light

scientific article published on 01 July 2019

Time resolved photoelectron spectroscopy of thioflavin T photoisomerization: a simulation study.

scientific article published on 29 April 2013

Time-, frequency-, and wavevector-resolved x-ray diffraction from single molecules ⬇️

scientific article

Time-Resolved Optical Pump-Resonant X-ray Probe Spectroscopy of 4-Thiouracil: A Simulation Study

scientific article published on 27 April 2022

Time-dependent density-matrix functional in Liouville space and the optical response of many-electron systems

scientific article published on 01 November 1995

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

scientific article published on September 2013

Towards Accurate Simulation of Two-Dimensional Electronic Spectroscopy

Towards Accurate Simulation of Two-Dimensional Electronic Spectroscopy

Tracking conformational dynamics of polypeptides by nonlinear electronic spectroscopy of aromatic residues: a first-principles simulation study

scientific article

Tracking the Mechanism of Fibril Assembly by Simulated Two-Dimensional Ultraviolet Spectroscopy ⬇️

scientific article published on 07 January 2013

Transient X-ray Absorption Spectral Fingerprints of the S1 Dark State in Uracil

scientific article published on 07 November 2019

Trapping photon-dressed Dirac electrons in a quantum dot studied by coherent two dimensional photon echo spectroscopy ⬇️

scientific article published on May 21, 2012

Trees to trap photons

scientific article published in Nature

Two Dimensional Electronic Correlation Spectroscopy of the npi* and pipi* Protein Backbone Transitions: A Simulation Study

scientific article published on November 2007

Two-Dimensional Electronic Spectroscopy of Benzene, Phenol, and Their Dimer: An Efficient First-Principles Simulation Protocol

scientific article published on August 2015

Two-Dimensional Infrared (2DIR) Spectroscopy of the Peptide Beta3s Folding ⬇️

scientific article published on June 6, 2013

Two-Dimensional Vibrational Lineshapes of Amide III, II, I and A Bands in a Helical Peptide

scientific article

Two-Photon-Coincidence Fluorescence Spectra of Cavity Multipolaritons: Novel Signatures of Multiexciton Generation ⬇️

scientific article published on October 13, 2010

Two-dimensional correlation spectroscopy of two-exciton resonances in semiconductor quantum wells

scientific article published on 04 February 2008

Two-dimensional double-quantum spectra reveal collective resonances in an atomic vapor

scientific article published on 07 May 2012

Two-dimensional electronic double-quantum coherence spectroscopy

scientific article published on September 2009

Two-dimensional electronic spectroscopy as a tool for tracking molecular conformations in DNA/RNA aggregates

scientific article published on 23 January 2018

Two-dimensional infrared spectroscopy as a probe of the solvent electrostatic field for a twelve residue peptide

scientific article

Two-dimensional infrared spectroscopy of vibrational polaritons of molecules in an optical cavity. ⬇️

scientific article published in March 2016

Two-dimensional infrared surface spectroscopy for CO on Cu(100): detection of intermolecular coupling of adsorbates

scientific article

Two-dimensional near ultraviolet (2DNUV) spectroscopic probe of structural-dependent exciton dynamics in a protein

scientific article published on 12 January 2015

Two-dimensional near-ultraviolet spectroscopy of aromatic residues in amyloid fibrils: a first principles study ⬇️

scientific article published on December 6, 2010

Two-dimensional optical spectroscopy of excitons in semiconductor quantum wells: Liouville-space pathway analysis

scholarly article in Physical Review B, vol. 75 no. 12, March 2007

Two-dimensional stimulated resonance Raman spectroscopy of molecules with broadband x-ray pulses

scientific article

Two-dimensional stimulated resonance Raman spectroscopy study of the Trp-cage peptide folding

scientific article

Two-dimensional vibrational optical probes for peptide fast folding investigation

scholarly article

Two-dimensional x-ray correlation spectroscopy of remote core states

scientific article

Two-exciton collective photon echoes in disordered molecular nanostructures

scientific article published on 01 June 1995

Two-photon spectroscopy of excitons with entangled photons.

scientific article published in December 2013

Two-quantum many-body coherences in two-dimensional fourier-transform spectra of exciton resonances in semiconductor quantum wells

scientific article published on 15 March 2010

Two‐Dimensional Ultraviolet (2DUV) Spectroscopic Tools for Identifying Fibrillation Propensity of Protein Residue Sequences ⬇️

scientific article published on December 10, 2010

Two‐dimensional femtosecond vibrational spectroscopy of liquids

article

Two‐dimensional stimulated ultraviolet resonance Raman spectra of tyrosine and tryptophan: a simulation study ⬇️

scientific article published on April 1, 2013

UV-Light-Induced Vibrational Coherences: The Key to Understand Kasha Rule Violation in trans-Azobenzene

article

Ultrafast Nonlinear Optical Signals Viewed from the Molecule’s Perspective

Ultrafast Optical Spectroscopy of Spectral Fluctuations in a Dense Atomic Vapor

scientific article published in Physical Review Letters

Ultrafast double-quantum-coherence spectroscopy of excitons with entangled photons ⬇️

scientific article published on July 19, 2010

Ultrafast nonlinear spectroscopy with spatially confined fields

Ultrafast pump-probe spectroscopy: femtosecond dynamics in Liouville space

scientific article published in December 1989

Ultrafast spectroscopy and diffraction from XUV to x-ray

scientific article published on 01 September 2020

Ultraviolet spectroscopy of protein backbone transitions in aqueous solution: combined QM and MM simulations

scientific article

Understanding Excitation Energy Transfer in Metalloporphyrin Heterodimers with Different Linkers, Bonding Structures and Geometries through Stimulated X-Ray Raman Spectroscopy

scientific article

Unravelling coherent dynamics and energy dissipation in photosynthetic complexes by 2D spectroscopy

scientific article

Using coherence to enhance function in chemical and biophysical systems

scientific article

Using localized double-quantum-coherence spectroscopy to reconstruct the two-exciton wave function of coupled quantum emitters

Utilizing Microcavities To Suppress Third-Order Cascades in Fifth-Order Raman Spectra.

scientific article published on 3 July 2017

Vibrational and condensed phase dynamics: general discussion

scientific article published on 01 December 2016

Vibrational sum-frequency generation spectroscopy at the water/lipid interface: molecular dynamics simulation study

scientific article

Vibrational-exciton couplings for the amide I, II, III, and A modes of peptides

scientific article published on 29 August 2007

Visualizing conical intersection passages via vibronic coherence maps generated by stimulated ultrafast X-ray Raman signals

scientific article published on 14 September 2020

Watching energy transfer in metalloporphyrin heterodimers using stimulated X-ray Raman spectroscopy

scientific article

Wave Packet Control and Simulation Protocol for Entangled Two-Photon Absorption of Molecules

scientific article published on 18 December 2021

Weak Exciton Scattering in Molecular Nanotubes Revealed by Double-Quantum Two-Dimensional Electronic Spectroscopy ⬇️

scientific article published on 07 February 2012

Wigner-Lindblad Equations for Quantum Friction ⬇️

scientific article published on 19 April 2016

X-Ray Sum Frequency Diffraction for Direct Imaging of Ultrafast Electron Dynamics

scientific article published on 01 June 2018

X-ray Raman optical activity of chiral molecules

scientific article published on 02 November 2018

X-ray circular dichroism signals: a unique probe of local molecular chirality.

scientific article published on 26 June 2017

X-ray linear and non-linear spectroscopy of the ESCA molecule

scientific article published on 01 September 2019

Zeeman shift of two-dimensional optical signals of Mg-porphyrin dimers with circularly polarized beams

scientific article

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