Publikationen
Publikationen des Arbeitskreises von Volker Engel
- [ 2024 ]
- [ 2023 ]
- [ 2022 ]
- [ 2021 ]
- [ 2020 ]
- [ 2019 ]
- [ 2018 ]
- [ 2017 ]
- [ 2016 ]
- [ 2015 ]
- [ 2014 ]
- [ 2013 ]
- [ 2012 ]
- [ 2011 ]
- [ 2010 ]
- [ 2009 ]
- [ 2008 ]
- [ 2007 ]
- [ 2006 ]
- [ 2005 ]
- [ 2004 ]
- [ 2003 ]
- [ 2002 ]
- [ 2000 ]
- [ 1999 ]
- [ 1998 ]
- [ 1997 ]
- [ 1996 ]
2024[ to top ]
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Differential Shannon Entropies and Mutual Information in a Curve Crossing System: Adiabatic and Diabatic Decompositions Journal of Chemical Theory and Computation. 20, 5012–5021 (2024).
2023[ to top ]
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Differential Shannon entropies and correlation measures for Born–Oppenheimer electron–nuclear dynamics: numerical results and their analytical interpretation Phys. Chem. Chem. Phys. 25, 28373–28381 (2023).
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Differential Shannon Entropies Characterizing Electron-Nuclear Dynamics and Correlation: Momentum-Space Versus Coordinate-Space Wave Packet Motion Entropy. 25, 970 (2023).
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On the relation between nodal structures in quantum wave functions and particle correlation AIP Advances. 13, (2023).
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Information Theoretical Approach to Coupled Electron-Nuclear Wave Packet Dynamics: Time-Dependent Differential Shannon Entropies The Journal of Physical Chemistry Letters. 14, 334–339 (2023).
2022[ to top ]
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Nuclear-Electron Correlation Effects and Their Photoelectron Imprint in Molecular XUV Ionisation Frontiers in Chemistry. 10, (2022).
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Quantum flux densities for electronic-nuclear motion: exact versus Born-Oppenheimer dynamics Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences. 380, 25316–25326 (2022).
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Wave packet dynamics in an harmonic potential disturbed by disorder: Entropy, uncertainty, and vibrational revivals The Journal of Chemical Physics. 156, 054303 (2022).
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Excitation localization in a trimeric perylenediimide macrocycle: Synthesis, theory, and single molecule spectroscopy The Journal of Chemical Physics. 156, 044304 (2022).
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Correlated three-dimensional electron-nuclear motion: Adiabatic dynamics vs passage of conical intersections The Journal of Chemical Physics. 156, 074302 (2022).
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Third-order pump-probe spectroscopy applied to molecular dimers: Characterization of relaxation dynamics and exciton--exciton annihilation Phys. Chem. Chem. Phys. 24, 25316–25326 (2022).
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Time-Dependent Expectation Values from Integral Equations for Quantum Flux and Probability Densities The Journal of Physical Chemistry A. 126, 8964–8975 (2022).
2021[ to top ]
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Twisting versus Delocalization in CAAC- and NHC-Stabilized Boron-Based Biradicals: The Roles of Sterics and Electronics Chemistry – A European Journal. 27, 5160–5170 (2021).
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Time-dependent momentum expectation values from different quantum probability and flux densities The Journal of Chemical Physics. 154, 064307 (2021).
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Optically Induced Charge Transfer in Organic Mixed-Valence Systems: Wave Packet Dynamics and Femtosecond Transient Spectroscopy The Journal of Physical Chemistry A. 125, 4114–4125 (2021).
2020[ to top ]
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Born–Oppenheimer and non-Born–Oppenheimer contributions to time-dependent electron momenta J. Chem. Phys. 152, 204310 (2020).
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A wave packet picture of exciton–exciton annihilation: Molecular dimer dynamics J. Chem. Phys. 152, 174305 (2020).
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cAAC-Stabilized 9,10-diboraanthracenes—Acenes with Open-Shell Singlet Biradical Ground States Angewandte Chemie International Edition. 59, 19338–19343 (2020).
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Exciton–exciton annihilation in a molecular trimer: Wave packet dynamics and 2D spectroscopy J. Chem. Phys. 153, 164310 (2020).
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Naphthoquinones as Covalent Reversible Inhibitors of Cysteine Proteases{\textemdash}Studies on Inhibition Mechanism and Kinetics Molecules. 25, 2064 (2020).
2019[ to top ]
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A classical ride through a conical intersection J. Chem. Phys. 150, 034301 (2019).
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On the calculation of time-dependent electron momenta within the Born-Oppenheimer approximation J. Chem. Phys. 150, 164110 (2019).
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Electronic and nuclear flux dynamics at a conical intersection J. Chem. Phys. 151, 084309 (2019).
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Optically Induced Electron Transfer in Mixed-Valence States: A Model Study on Electronic Transitions, Relaxation Dynamics, and Transient Absorption Spectroscopy J. Phys. Chem. A. 123, 5463–5471 (2019).
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Mapping of exciton–exciton annihilation in a molecular dimer via fifth-order femtosecond two-dimensional spectroscopy J. Chem. Phys. 150, 104304 (2019).
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Lewis-Base Stabilization of the Parent Al(I) Hydride under Ambient Conditions Journal of the American Chemical Society. 141, 16954–16960 (2019).
2018[ to top ]
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Stochastically correlated versus uncorrelated quantum-state diffusion dynamics in different electronic states: third-order polarizations and two-dimensional vibronic spectra Chemical Physics. 515, 102–107 (2018).
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Time-dependent electron momenta from Born-Oppenheimer calculations The European Physical Journal B. 91, 97 (2018).
2017[ to top ]
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The electronic character of PTCDA thin films in comparison to other perylene-based organic semi-conductors: ab initio-{,} TD-DFT and semi-empirical computations of the opto-electronic properties of large aggregates Phys. Chem. Chem. Phys. 19, 2434–2448 (2017).
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Electron-nuclear wave-packet dynamics through a conical intersection The Journal of Chemical Physics. 146, 074304 (2017).
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Communication: On the calculation of time-dependent electron flux within the Born-Oppenheimer approximation: A flux-flux reflection principle The Journal of Chemical Physics. 147, 241101 (2017).
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Mapping of exciton-exciton annihilation in MEH-PPV by time-resolved spectroscopy: experiment and microscopic theory Phys. Chem. Chem. Phys. 19, 31989–31996 (2017).
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Correlated electron-nuclear dissociation dynamics: classical versus quantum motion The European Physical Journal D. 71, 91 (2017).
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Geometrical Optimization Approach to Isomerization: Models and Limitations The Journal of Physical Chemistry A. 121, 8280–8287 (2017).PMID: 28994591
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On the time-dependent calculation of angular averaged vibronic absorption spectra with an application to molecular aggregates Chemical Physics. 482, 64–68 (2017).Electrons and nuclei in motion - correlation and dynamics in molecules (on the occasion of the 70th birthday of Lorenz S. Cederbaum)
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The dimer-approach to characterize opto-electronic properties of and exciton trapping and diffusion in organic semiconductor aggregates and crystals Phys. Chem. Chem. Phys. 19, 12604–12619 (2017).
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Time-resolved photoelectron spectroscopy of IR-driven electron dynamics in a charge transfer model system Phys. Chem. Chem. Phys. 19, 19683–19690 (2017).
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Coupled electron-nuclear quantum dynamics through and around a conical intersection The Journal of Chemical Physics. 147, 064302 (2017).
2016[ to top ]
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Two-dimensional vibronic spectroscopy of molecular aggregates: Trimers, dimers, and monomers The Journal of Chemical Physics. 145, 084305 (2016).
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Two-dimensional optical spectroscopy of homo- and heterodimers Phys. Chem. Chem. Phys. 18, 32910–32920 (2016).
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Exciton-Vibrational Couplings in Homo- and Heterodimer Stacks of Perylene Bisimide Dyes within Cyclophanes: Studies on Absorption Properties and Theoretical Analysis Chemistry – A European Journal. 22, 15011–15018 (2016).
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How fast is optically induced electron transfer in organic mixed valence systems? Phys. Chem. Chem. Phys. 18, 19405–19411 (2016).
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Two-dimensional femtosecond optical spectroscopy of trapping dynamics in a charge-transfer process Chemical Physics Letters. 650, 41–46 (2016).
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Identification of effective exciton-exciton annihilation in squaraine-squaraine copolymers Phys. Chem. Chem. Phys. 18, 13368–13374 (2016).
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Exciton dynamics in perturbed vibronic molecular aggregates Structural Dynamics. 3, 043201 (2016).
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Femtosecond time-resolved four-wave mixing spectroscopy of coupled electron-nuclear motion Asian Journal of Physics. 25, 189–197 (2016).Dedicated to Professor Wolfgang Kiefer on the occasion of his 75th birthday
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Communication: Adiabatic and non-adiabatic electron-nuclear motion: Quantum and classical dynamics The Journal of Chemical Physics. 144, 171103 (2016).
2015[ to top ]
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Macrocyclic cis-Indolenine Squaraine Dyes as Efficient Near Infrared Emitters The Journal of Physical Chemistry C. 119, 6174–6180 (2015).
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Communication: Vibrational and vibronic coherences in the two dimensional spectroscopy of coupled electron-nuclear motion The Journal of Chemical Physics. 143, 041102 (2015).
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Extended quantum jump description of vibronic two-dimensional spectroscopy The Journal of Chemical Physics. 142, 212440 (2015).
2014[ to top ]
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Coherent and incoherent contributions to the carrier-envelope phase control of wave packet localization in quantum double wells The Journal of Chemical Physics. 140, 184316 (2014).
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Identification of Ultrafast Relaxation Processes As a Major Reason for Inefficient Exciton Diffusion in Perylene-Based Organic Semiconductors Journal of the American Chemical Society. 136, 9327–9337 (2014).PMID: 24909402
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Singlet–Singlet Exciton Annihilation in an Exciton-Coupled Squaraine-Squaraine Copolymer: A Model toward Hetero-J-Aggregates The Journal of Physical Chemistry C. 118, 17467–17482 (2014).
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Quantum diffusion wave-function approach to two-dimensional vibronic spectroscopy The Journal of Chemical Physics. 141, 134306 (2014).
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Theoretical Analysis of the Relaxation Dynamics in Perylene Bisimide Dimers Excited by Femtosecond Laser Pulses The Journal of Physical Chemistry A. 118, 1403–1412 (2014).PMID: 24475775
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Multiple time scale population transfer-dynamics in coupled electronic states Chemical Physics. 442, 26–30 (2014).Papers from the 11th International Conference on Femtochemistry (FEMTO11) that took place at The Technical University of Denmark (DTU), Copenhagen
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The time-scale of nonlinear events driven by strong fields: can one control the spin coupling before ionization runs over? Journal of Physics B: Atomic, Molecular and Optical Physics. 47, 124027 (2014).
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2013[ to top ]
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Carrier envelope phase effects induced by weak multicycle pulses: Localized quantum dynamics in double well potentials Chemical Physics Letters. 579, 23–27 (2013).
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H₂CN⁺ and H₂CNH⁺: New insight into the structure and dynamics from mass-selected threshold photoelectron spectra The Journal of Chemical Physics. 138, 214310 (2013).
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Weak-Field, Multiple-Cycle Carrier Envelope Phase Effects in Laser Excitation ChemPhysChem. 14, 1464–1470 (2013).
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Manipulating the singlet--triplet transition in ion strings by nonresonant dynamic Stark effect Theoretical Chemistry Accounts. 132, 1359 (2013).
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Two-dimensional vibronic spectroscopy of molecular predissociation New Journal of Physics. 15, 025008 (2013).
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Ultrafast Exciton Self-Trapping upon Geometry Deformation in Perylene-Based Molecular Aggregates The Journal of Physical Chemistry Letters. 4, 792–796 (2013).PMID: 26281934
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On the parameterization of vibronic Hamiltonians for molecular aggregates using absorption line-shapes as an input The Journal of Chemical Physics. 139, 054303 (2013).
2012[ to top ]
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Adiabaticity in the lateral electron-momentum distribution after strong-field ionization Phys. Rev. A. 85, 021402 (2012).
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Fragment momentum distributions obtained from coupled electron-nuclear dynamics The Journal of Chemical Physics. 136, 104306 (2012).
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Vibronic energy localization in weakly coupled small molecular aggregates Chemical Physics Letters. 541, 49–53 (2012).
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Quantum Wave-Packet Dynamics in Spin-Coupled Vibronic States The Journal of Physical Chemistry A. 116, 11427–11433 (2012).PMID: 22946899
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Fingerprints of Adiabatic versus Diabatic Vibronic Dynamics in the Asymmetry of Photoelectron Momentum Distributions The Journal of Physical Chemistry Letters. 3, 2617–2620 (2012).PMID: 23378888
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On the Divergence of Time-Dependent Perturbation Theory Applied to Laser-Induced Molecular Transitions: Analytical Calculations for the Simple Algorithm Journal of Physical Mathematics. 4, 1–12 (2012).
2011[ to top ]
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Time-resolved photoelectron spectroscopy of coupled electron-nuclear motion The Journal of Chemical Physics. 134, 184307 (2011).
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Interference Effects in Vibronic 2D-Spectra of Diatomic Molecules Zeitschrift f\"{u}r Physikalische Chemie. 225, 703–714 (2011).
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Interference in above-threshold-ionization electron distributions from molecules Phys. Rev. A. 83, 051401 (2011).
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Nuclear and electronic momentum distributions from pulse induced photodissociation Chemical Physics Letters. 509, 119–123 (2011).
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Two-dimensional vibronic spectroscopy of coherent wave-packet motion The Journal of Chemical Physics. 134, 104304 (2011).
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Foldamer with a spiral perylene bisimide staircase aggregate structure Chem. Sci. 2, 2094–2100 (2011).
2010[ to top ]
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Vibrational-state and isotope dependence of high-order harmonic generation in water molecules Phys. Rev. A. 81, 023412 (2010).
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Mapping of quantum phases by two-dimensional vibronic spectroscopy of wave-packet revivals Phys. Rev. A. 82, 013419 (2010).
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Dissipative Wave Packet Dynamics of Hydrophobic → Hydrophilic Site Switching in Phenol-Ar Clusters The Journal of Physical Chemistry A. 114, 9743–9748 (2010).PMID: 20433178
2009[ to top ]
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Local control of population transfer in molecules under fluctuating perturbations Chemical Physics Letters. 477, 75–79 (2009).
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Probing the geometry dependence of molecular dimers with two-dimensional-vibronic spectroscopy The Journal of Chemical Physics. 130, 134318 (2009).
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On the divergence of time-dependent perturbation theory applied to laser-induced molecular transitions Journal of Physics B: Atomic, Molecular and Optical Physics. 42, 195402 (2009).
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Vibronic Transitions and Quantum Dynamics in Molecular Oligomers: A Theoretical Analysis with an Application to Aggregates of Perylene Bisimides The Journal of Physical Chemistry A. 113, 13475–13482 (2009).PMID: 19831416
2008[ to top ]
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Absorption and emission spectroscopy of molecular trimers: Cyclic versus linear geometries Chemical Physics. 347, 120–126 (2008).Ultrafast Photoinduced Processes in Polyatomic Molecules
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On the inversion of geometric parameters from absorption and circular dichroism spectroscopy of molecular dimers Chemical Physics Letters. 467, 186–190 (2008).
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Molecular dump processes induced by chirped laser pulses The Journal of Chemical Physics. 129, 074303 (2008).
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Exciton Trapping in π-Conjugated Materials: A Quantum-Chemistry-Based Protocol Applied to Perylene Bisimide Dye Aggregates Journal of the American Chemical Society. 130, 12858–12859 (2008).PMID: 18767851
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Circular dichroism spectroscopy of small molecular aggregates: Dynamical features and size effects The Journal of Chemical Physics. 128, 204303 (2008).
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Attosecond Photoelectron Spectroscopy of Electron Tunneling in a Dissociating Hydrogen Molecular Ion Phys. Rev. Lett. 101, 103001 (2008).
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Quantum Study of the Absorption Spectroscopy of Bis(triarylamine) Radical Cations The Journal of Physical Chemistry A. 112, 10178–10184 (2008).PMID: 18811125
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Analysis of laser fields for photoassociation and molecular stabilization derived from local control theory Journal of Physics B: Atomic, Molecular and Optical Physics. 41, 074026 (2008).
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2007[ to top ]
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Wave-packet dynamics in molecular dimers Chemical Physics. 338, 143–149 (2007).Molecular Wave Packet Dynamics
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Photoluminescence and Conductivity of Self-Assembled π–π Stacks of Perylene Bisimide Dyes Chemistry – A European Journal. 13, 436–449 (2007).
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Circular dichroism and absorption spectroscopy of merocyanine dimer aggregates: molecular properties and exciton transfer dynamics from time-dependent quantum calculations Phys. Chem. Chem. Phys. 9, 6214–6218 (2007).
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Strong-field dressing of vibrational manifolds within ultrafast coherent Raman excitation Journal of Raman Spectroscopy. 38, 998–1005 (2007).
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Properties of wave packets deduced from quantum control fitness landscapes EPL (Europhysics Letters). 80, 53001 (2007).
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Local control theory applied to molecular photoassociation The Journal of Chemical Physics. 127, 084115 (2007).
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Absorption spectroscopy of molecular trimers The Journal of Chemical Physics. 126, 164308 (2007).
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On the limitations of adiabatic population transfer between molecular electronic states induced by intense femtosecond laser pulses The Journal of Chemical Physics. 127, 134306 (2007).
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On the calculation of circular dichroism spectra using quantum wave-packet dynamics with an application to molecular dimers The Journal of Chemical Physics. 126, 074110 (2007).
2006[ to top ]
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Classical aspects emerging from local control of energy and particle transfer in molecules Journal of Photochemistry and Photobiology A: Chemistry. 180, 271–276 (2006).Coherent Control of Photochemical and Photobiological Processes
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Local control theory applied to coupled electronic and nuclear motion Chemical Physics. 329, 118–125 (2006).Electron Correlation and Multimode Dynamics in Molecules
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Complete local control of molecular excited state photo-fragmentation Chemical Physics Letters. 426, 263–267 (2006).
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Ground state vibrational wave-packet and recovery dynamics studied by time-resolved CARS and pump-CARS spectroscopy Journal of Raman Spectroscopy. 37, 397–403 (2006).
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The excited-state geometry of 1-hydroxy-2- acetonaphthone: a resonance Raman and quantum chemical study Journal of Raman Spectroscopy. 37, 148–160 (2006).
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Local control of the quantum dynamics in multiple potential wells The Journal of Chemical Physics. 124, 054325 (2006).
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On the geometry dependence of molecular dimer spectra with an application to aggregates of perylene bisimide Chemical Physics. 328, 354–362 (2006).
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Application of a reflection principle to spectroscopic transitions in molecular dimers Chemical Physics Letters. 433, 199–203 (2006).
2005[ to top ]
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Femtosecond pulse induced predissociation dynamics in static electric fields Phys. Chem. Chem. Phys. 7, 469–474 (2005).
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On the control of resonant versus non-resonant electronic transitions in molecular photodissociation Chemical Physics Letters. 414, 17–22 (2005).
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Instantaneous dynamics and quantum control fields: Principle and numerical applications The Journal of Chemical Physics. 122, 184103 (2005).
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Predissociation and dissociation dynamics in quantum control fields Chemical Physics Letters. 407, 471–476 (2005).
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Local control of molecular fragmentation: The role of orientation The Journal of Chemical Physics. 123, 204320 (2005).
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Vibronic energies and spectra of molecular dimers The Journal of Chemical Physics. 122, 134103 (2005).
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Isotope effects in the photofragmentation of symmetric molecules: The branching ratio of {OD}∕{OH} in water The Journal of Chemical Physics. 122, 204320 (2005).
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Population transfer in the multiphoton excitation of molecules Phys. Rev. A. 72, 013404 (2005).
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FEMTOSECOND LASER PHOTOELECTRON SPECTROSCOPY ON ATOMS AND SMALL MOLECULES: Prototype Studies in Quantum Control Annual Review of Physical Chemistry. 56, 25–56 (2005).PMID: 15796695
2004[ to top ]
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Infrared spectrum and predissociation dynamics of H₂O⁺-Ar The Journal of Chemical Physics. 121, 12345 (2004).
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How Delocalized Is N,N,N‘,N‘-Tetraphenylphenylenediamine Radical Cation? An Experimental and Theoretical Study on the Electronic and Molecular Structure Journal of the American Chemical Society. 126, 7834–7845 (2004).PMID: 15212531
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Approaches to Wave Packet Imaging Using Femtosecond Ionization Spectroscopy The Journal of Physical Chemistry A. 108, 8954–8960 (2004).
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Molecular orientation via a dynamically induced pulse-train: Wave packet dynamics of {NaI} in a static electric field The Journal of Chemical Physics. 120, 5871–5874 (2004).
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Electronic predissociation: a model study The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics. 30, 327–333 (2004).
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Indirect versus direct photoionization with ultrashort pulses: interferences and time-resolved bond-length changes Chemical Physics Letters. 385, 60–65 (2004).
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Time-dependent electron localization functions for coupled nuclear-electronic motion The Journal of Chemical Physics. 121, 9666–9670 (2004).
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Quantum control fields from instantaneous dynamics Chemical Physics Letters. 398, 180–185 (2004).
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Fractional revivals in the rovibrational motion of I₂ The Journal of Chemical Physics. 120, 10442–10449 (2004).
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Combined electronic and nuclear dynamics in a simple model system. {II}. Spectroscopic transitions The Journal of Chemical Physics. 120, 158–164 (2004).
2003[ to top ]
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Photodissociation and recombination dynamics of I₂ in DDR (decadodecasil 3R): Dependence on the geometry of the host matrix monitored by femtosecond time-resolved pump-probe experiments Phys. Chem. Chem. Phys. 5, 865–876 (2003).
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Combined electronic and nuclear dynamics in a simple model system The Journal of Chemical Physics. 119, 672–679 (2003).
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Chirped pulse ionization: bondlength dynamics and interference effects Chemical Physics Letters. 373, 319–327 (2003).
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Probing the Kinetics of a Nonadiabatic Transition Initiating Out of Vibrationally Excited as Well as Ground State Modes with Femtosecond Time-Resolved Transient Gratings The Journal of Physical Chemistry A. 107, 8355–8362 (2003).
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Determination of transition dipole moments from time–resolved photoelectron spectroscopy Eur. Phys. J. D. 25, 95–99 (2003).
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The mechanism of light storage in spherical microcavities explored on a femtosecond time scale Optics Communications. 216, 321–327 (2003).
2002[ to top ]
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Applications of the Karhunen-Lo{\`{e}}ve Decomposition to Quantum Dynamical Problems Zeitschrift f\"{u}r Physikalische Chemie. 216, (2002).
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Femtosecond time-resolved photoelectron spectroscopy with high frequency probe pulses Chemical Physics Letters. 351, 275–280 (2002).
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The role of specific normal modes during non-Born–Oppenheimer dynamics: the S1–S0 internal conversion of β-carotene interrogated on a femtosecond time-scale with coherent anti-Stokes Raman scattering Journal of Raman Spectroscopy. 33, 844–854 (2002).
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Fermi–Pasta–Ulam recurrences, normal modes and wave-packet revivals Chemical Physics Letters. 356, 29–35 (2002).
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Target wave-packet control and its detection using time-resolved photoelectron spectroscopy Chemical Physics Letters. 358, 344–349 (2002).
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The Effect of the Electron-Electron Interaction in Above-Threshold Double Ionization Laser Physics. 12, 487–490 (2002).
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Time-resolved photoelectron spectroscopy of molecular dissociation: Classical trajectory versus quantum wave-packet calculations Phys. Chem. Chem. Phys. 4, 5014–5019 (2002).
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Time-resolved photoelectron spectroscopy: Journal of Organometallic Chemistry. 661, 191–197 (2002).
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Cationic molecular wave packets: "Settin’ the pace" The Journal of Chemical Physics. 116, 4762 (2002).
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Strong-field ionization dynamics of a model H₂ molecule Physical Review A. 65, (2002).
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Optimal pump{\textendash}dump control and time-frequency resolved spectroscopy of ground-state wave-packet focusing The Journal of Chemical Physics. 117, 6142–6147 (2002).
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Population Dynamics in Vibrational Modes during Non-Born−Oppenheimer Processes: CARS Spectroscopy Used as a Mode-Selective Filter Journal of the American Chemical Society. 124, 6242–6243 (2002).PMID: 12033844
2000[ to top ]
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Non-perturbative wave-packet calculations of time-resolved four-wave-mixing signals Applied Physics B. 71, 293–297 (2000).
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Stochastic trajectory simulation of femtosecond pump{\textendash}probe spectroscopy Chemical Physics Letters. 332, 110–116 (2000).
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Hybrid quantum/classical study of {ICN} in an Ar matrix: Photofragmentation and cage exit The Journal of Chemical Physics. 113, 1027–1034 (2000).
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Wave packet dynamics in different electronic states investigated by femtosecond time-resolved four-wave-mixing spectroscopy Applied Physics B. 71, 299–317 (2000).
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Femtosecond time-resolved CARS and DFWM spectroscopy on gas-phase I₂: a wave-packet description Journal of Raman Spectroscopy. 31, 33–39 (2000).
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Oscillatory pump{\textendash}probe signals from delocalized wave packets The Journal of Chemical Physics. 113, 5770–5775 (2000).
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Intense-Field Double Ionization of Helium: Identifying the Mechanism Phys. Rev. Lett. 85, 4707–4710 (2000).
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Mapping of wave packets in direct fragmentation via pump{\textendash}probe frequency integrated fluorescence spectroscopy The Journal of Chemical Physics. 112, 106–111 (2000).
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Molecular Dynamics Simulation of Femtosecond Pump-Probe Experiments on I₂ in Ar Environments Zeitschrift f\"{u}r Physikalische Chemie. 214, (2000).
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Pulse-width and isotope effects in femtosecond-pulse strong-field dissociation of H₂⁺ and D₂⁺ Phys. Rev. A. 62, 063402 (2000).
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Theoretical analysis of femtosecond excitation and fragmentation dynamics of Fe({CO})₅ Chemical Physics Letters. 316, 585–592 (2000).
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Separation of vibrational and rotational coherences with polarized femtosecond time-resolved four-wave mixing spectroscopy Journal of Raman Spectroscopy. 31, 25–31 (2000).
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Characterization of nuclear wave packets describing molecular photodissociation The Journal of Chemical Physics. 113, 3609–3614 (2000).
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On the mechanism of strong-field double photoionization in the helium atom Journal of Physics B: Atomic, Molecular and Optical Physics. 33, 433 (2000).
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Phase-energy approach to collision-induced vibrational relaxation The Journal of Chemical Physics. 113, 8865–8868 (2000).
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Collision-induced bound state motion in I₂. A classical molecular dynamics study The Journal of Chemical Physics. 113, 6585–6591 (2000).
1999[ to top ]
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Single and multiple collision effects observed in the femtosecond spectroscopy of I₂-rare gas collision complexes: a statistical description The Journal of Chemical Physics. 110, 3335–3340 (1999).
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Determination of wave packet dynamics by femtosecond time-resolved pump-dump-probe and four-wave mixing techniques Journal of Molecular Structure. 480-481, 33–43 (1999).
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Classical simulations on the pump–probe spectroscopy of I₂ encapsulated in DDR porosil Chemical Physics Letters. 311, 146–152 (1999).
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Quantum-classical molecular dynamics simulation of femtosecond spectroscopy on I₂ in inert gases: Mechanisms for the decay of pump{\textendash}probe signals The Journal of Chemical Physics. 111, 7807–7817 (1999).
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A CASSCF/MR-CCI study of the excited states of Fe(CO)₅ Chemical Physics Letters. 302, 489–494 (1999).
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Simulation of femtosecond time-resolved four-wave mixing experiments on I₂ Chemical Physics Letters. 301, 248–254 (1999).
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Structures in molecular photofragment and photoelectron distributions from two-photon non-resonant excitation Chemical Physics Letters. 300, 269–274 (1999).
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On the deconvolution of the temporal width of laser pulses from pump{\textendash}probe signals The Journal of Chemical Physics. 111, 10469–10475 (1999).
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A novel mixed quantum/classical method for the dynamics of molecules in a gas environment with an application to femtosecond time-resolved spectroscopy Chemical Physics Letters. 302, 20–26 (1999).
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Ultrafast detection and control of molecular dynamics Proceedings of the National Academy of Sciences. 96, 8328–8329 (1999).
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Construction of a Potential Energy Surface for Molecular Dynamics Studies of Methane Adsorbed in Zeolites The Journal of Physical Chemistry A. 103, 5116–5122 (1999).
1998[ to top ]
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An effective method for the quantum mechanical description of photoionization with ultrashort intense laser pulses The Journal of Chemical Physics. 109, 36–41 (1998).
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Geminate recombination processes induced by rare gas collisions with predissociating NaI molecules prepared by femtosecond excitation Theoretical Chemistry Accounts. 100, 199–203 (1998).
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Molecular femtosecond excitation described within the Gaussian wave packet approximation The Journal of Chemical Physics. 108, 8983–8988 (1998).
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Pump/Probe Spectroscopy of NaI in Rare Gas Environments: A Statistical Description The Journal of Physical Chemistry A. 102, 7406–7413 (1998).
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Photoelectron distributions from femtosecond pump/probe excitation with chirped probe pulses The Journal of Chemical Physics. 108, 7631–7636 (1998).
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Fragmentation dynamics of Fe(CO)₅ upon femtosecond excitation: a time-dependent statistical description Chemical Physics Letters. 293, 485–490 (1998).
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Single-collision caging of dissociating I₂: wave packet calculations and simulation of femtosecond spectra Chemical Physics Letters. 287, 487–495 (1998).
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Excitation of symmetric and anti-symmetric stretching motion in the continuum resonance Raman scattering from {ABA}-type molecules Chemical Physics Letters. 284, 39–46 (1998).
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Femtosecond Time-Resolved CARS Spectroscopy on Binary Gas-Phase Mixtures: A Theoretical and Experimental Study of the Benzene/Toluene System The Journal of Physical Chemistry A. 102, 9734–9738 (1998).
1997[ to top ]
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The calculation of time-resolved negative-ion-to-neutral-to-positive-ion-spectra with an application to iron-carbonyl The Journal of Chemical Physics. 107, 1066–1072 (1997).
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Vibrational Revivals and the Control of Photochemical Reactions The Journal of Physical Chemistry A. 101, 7749–7753 (1997).
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Vibrational dynamics and energy flow in a multi-mode organometallic compound Chemical Physics Letters. 270, 222–228 (1997).
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Inversion of Potential Energy Curves from Continuum Resonance Raman Scattering Data with the Help of a Reflection Principle Journal of Raman Spectroscopy. 28, 427–431 (1997).
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The perturbation of coherent wave-packet dynamics by atom/molecule collisions: the NaI + Ar system Chemical Physics Letters. 275, 519–526 (1997).
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A theoretical analysis of the time-resolved femtosecond CARS spectrum of I₂ Chemical Physics Letters. 281, 332–336 (1997).
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Pump/probe direct photoionization from thermally hot samples: the Cs₂ molecule Zeitschrift f{\"u}r Physik D Atoms, Molecules and Clusters. 39, 301–307 (1997).
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Femtosecond time-resolved two-photon ionization spectroscopy of K₂ The Journal of Chemical Physics. 107, 9749–9754 (1997).
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Semiclassical photodissociation cross section for H₂O Journal of Physics B: Atomic, Molecular and Optical Physics. 30, 3191 (1997).
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Stimulated emission processes and strong field effects in ultrashort pulse excitation of a predissociative molecule Chemical Physics. 217, 249–257 (1997).
1996[ to top ]
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Addendum to: Nanosecond wave-packet propagation with the split-operator technique [Comput. Phys. Commun. 93 (1996) 152] Computer Physics Communications. 98, 265 (1996).
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Wave-packet interference and stabilization of a predissociating molecule Chemical Physics Letters. 255, 258–262 (1996).
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Short-time wave-packet dynamics and the reflection principle of continuum resonance Raman scattering Chemical Physics Letters. 263, 640–644 (1996).