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Arbeitsgruppe Engel

Publikationen des Arbeitskreises von Volker Engel

[ 2019 ] [ 2018 ] [ 2017 ] [ 2016 ] [ 2015 ] [ 2014 ] [ 2013 ] [ 2012 ] [ 2011 ] [ 2010 ] [ 2009 ] [ 2008 ] [ 2007 ] [ 2006 ] [ 2005 ] [ 2004 ] [ 2003 ] [ 2002 ] [ 2000 ] [ 1999 ] [ 1998 ] [ 1997 ] [ 1996 ]

2019[ nach oben ]

  • Süß, J., Wehner, J., Dostál, J., Brixner, T., Engel, V.: Mapping of exciton–exciton annihilation in a molecular dimer via fifth-order femtosecond two-dimensional spectroscopy.J. Chem. Phys.150,104304 (2019).
  • Schaupp, T., Engel, V.: A classical ride through a conical intersection.J. Chem. Phys.150,034301 (2019).

2018[ nach oben ]

  • Wehner, J., Engel, V.: 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).
  • Schaupp, T., Albert, J., Engel, V.: Time-dependent electron momenta from Born-Oppenheimer calculations.The European Physical Journal B.91,97 (2018).

2017[ nach oben ]

  • Schaupp, T., Albert, J., Engel, V.: Correlated electron-nuclear dissociation dynamics: classical versus quantum motion.The European Physical Journal D.71,91 (2017).
  • Bellinger, D., Pflaum, J., Brüning, C., Engel, V., Engels, B.: 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).
  • Brüning, C., Engel, V.: 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)
  • Hader, K., Albert, J., Gross, E.K.U., Engel, V.: Electron-nuclear wave-packet dynamics through a conical intersection.The Journal of Chemical Physics.146,074304 (2017).
  • Engels, B., Engel, V.: 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).
  • Albert, J., Hader, K., Engel, V.: Coupled electron-nuclear quantum dynamics through and around a conical intersection.The Journal of Chemical Physics.147,064302 (2017).
  • Chang, B.Y., Shin, S., Engel, V., Sola, I.R.: Geometrical Optimization Approach to Isomerization: Models and Limitations.The Journal of Physical Chemistry A.121,8280-8287 (2017).
    PMID: 28994591
  • Hader, K., Consani, C., Brixner, T., Engel, V.: Mapping of exciton-exciton annihilation in MEH-PPV by time-resolved spectroscopy: experiment and microscopic theory.Phys. Chem. Chem. Phys.19,31989-31996 (2017).
  • Albert, J., Hader, K., Engel, V.: 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).
  • Falge, M., Frobel, F.G., Engel, V., Gräfe, S.: Time-resolved photoelectron spectroscopy of IR-driven electron dynamics in a charge transfer model system.Phys. Chem. Chem. Phys.19,19683-19690 (2017).

2016[ nach oben ]

  • Albert, J., Engel, V.: 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
  • Brüning, C., Wehner, J., Hausner, J., Wenzel, M., Engel, V.: Exciton dynamics in perturbed vibronic molecular aggregates.Structural Dynamics.3,043201 (2016).
  • Keß, M., Engel, V.: Two-dimensional femtosecond optical spectroscopy of trapping dynamics in a charge-transfer process.Chemical Physics Letters.650,41 - 46 (2016).
  • Hader, K., May, V., Lambert, C., Engel, V.: Identification of effective exciton-exciton annihilation in squaraine-squaraine copolymers.Phys. Chem. Chem. Phys.18,13368-13374 (2016).
  • Albert, J., Kaiser, D., Engel, V.: Communication: Adiabatic and non-adiabatic electron-nuclear motion: Quantum and classical dynamics.The Journal of Chemical Physics.144,171103 (2016).
  • Lambert, C., Moos, M., Schmiedel, A., Holzapfel, M., Schafer, J., Kess, M., Engel, V.: How fast is optically induced electron transfer in organic mixed valence systems?Phys. Chem. Chem. Phys.18,19405-19411 (2016).
  • Keß, M., Worth, G., Engel, V.: Two-dimensional vibronic spectroscopy of molecular aggregates: Trimers, dimers, and monomers.The Journal of Chemical Physics.145,084305 (2016).
  • Bialas, D., Brüning, C., Schlosser, F., Fimmel, B., Thein, J., Engel, V., Würthner, F.: 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).
  • Wehner, J., Engel, V.: Two-dimensional optical spectroscopy of homo- and heterodimers.Phys. Chem. Chem. Phys.18,32910-32920 (2016).

2015[ nach oben ]

  • Albert, J., Falge, M., Keß, M., Wehner, J.G., Zhang, P.-P., Eisfeld, A., Engel, V.: Extended quantum jump description of vibronic two-dimensional spectroscopy.The Journal of Chemical Physics.142,212440 (2015).
  • Albert, J., Falge, M., Gomez, S., Sola, I.R., Hildenbrand, H., Engel, V.: Communication: Vibrational and vibronic coherences in the two dimensional spectroscopy of coupled electron-nuclear motion.The Journal of Chemical Physics.143,041102 (2015).
  • Brüning, C., Welz, E., Heilos, A., Stehr, V., Walter, C., Engels, B., Völker, S.F., Lambert, C., Engel, V.: Macrocyclic cis-Indolenine Squaraine Dyes as Efficient Near Infrared Emitters.The Journal of Physical Chemistry C.119,6174-6180 (2015).

2014[ nach oben ]

  • Falge, M., Vindel-Zandbergen, P., Engel, V., Lein, M., Chang, B.Y., Sola, I.R.: 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).
  • Wehner, J., Falge, M., Strunz, W.T., Engel, V.: Quantum diffusion wave-function approach to two-dimensional vibronic spectroscopy.The Journal of Chemical Physics.141,134306 (2014).
  • Schubert, A., Falge, M., Kess, M., Settels, V., Lochbrunner, S., Strunz, W.T., Würthner, F., Engels, B., Engel, V.: 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
  • Kess, M., Brüning, C., Engel, V.: 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
  • Hader, K., Engel, V.: 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).
  • Settels, V., Schubert, A., Tafipolski, M., Liu, W., Stehr, V., Topczak, A.K., Pflaum, J., Deibel, C., Fink, R.F., Engel, V., Engels, B.: 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
  • Völker, S.F., Schmiedel, A., Holzapfel, M., Renziehausen, K., Engel, V., Lambert, C.: 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).

2013[ nach oben ]

  • Albert, J., Schubert, A., Engel, V.: Two-dimensional vibronic spectroscopy of molecular predissociation.New Journal of Physics.15,025008 (2013).
  • Schubert, A., Settels, V., Liu, W., Würthner, F., Meier, C., Fink, R.F., Schindlbeck, S., Lochbrunner, S., Engels, B., Engel, V.: Ultrafast Exciton Self-Trapping upon Geometry Deformation in Perylene-Based Molecular Aggregates.The Journal of Physical Chemistry Letters.4,792-796 (2013).
    PMID: 26281934
  • Holzmeier, F., Lang, M., Hader, K., Hemberger, P., Fischer, I.: H₂CN⁺ and H₂CNH⁺: New insight into the structure and dynamics from mass-selected threshold photoelectron spectra.The Journal of Chemical Physics.138,214310 (2013).
  • Hader, K., Renziehausen, K., Engel, V.: Carrier envelope phase effects induced by weak multicycle pulses: Localized quantum dynamics in double well potentials.Chemical Physics Letters.579,23 - 27 (2013).
  • Vindel-Zandbergen, P., Falge, M., Chang, B.Y., Engel, V., Sola, I.R.: Manipulating the singlet--triplet transition in ion strings by nonresonant dynamic Stark effect.Theoretical Chemistry Accounts.132,1359 (2013).
  • Brüning, C., Renziehausen, K., Engel, V.: On the parameterization of vibronic Hamiltonians for molecular aggregates using absorption line-shapes as an input.The Journal of Chemical Physics.139,054303 (2013).
  • Renziehausen, K., Hader, K., Jakubetz, W., Engel, V.: Weak-Field, Multiple-Cycle Carrier Envelope Phase Effects in Laser Excitation.ChemPhysChem.14,1464--1470 (2013).

2012[ nach oben ]

  • Henkel, J., Lein, M., Engel, V., Dreissigacker, I.: Adiabaticity in the lateral electron-momentum distribution after strong-field ionization.Phys. Rev. A.85,021402 (2012).
  • Renziehausen, K.: 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).
  • Falge, M., Engel, V., Lein, M., Vindel-Zandbergen, P., Chang, B.Y., Sola, I.R.: Quantum Wave-Packet Dynamics in Spin-Coupled Vibronic States.The Journal of Physical Chemistry A.116,11427-11433 (2012).
    PMID: 22946899
  • Falge, M., Engel, V., Gräfe, S.: 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
  • Wehner, J., Schubert, A., Engel, V.: Vibronic energy localization in weakly coupled small molecular aggregates.Chemical Physics Letters.541,49 - 53 (2012).
  • Hader, K., Engel, V.: Fragment momentum distributions obtained from coupled electron-nuclear dynamics.The Journal of Chemical Physics.136,104306 (2012).

2011[ nach oben ]

  • Falge, M., Engel, V., Gräfe, S.: Time-resolved photoelectron spectroscopy of coupled electron-nuclear motion.The Journal of Chemical Physics.134,184307 (2011).
  • Henkel, J., Lein, M., Engel, V.: Interference in above-threshold-ionization electron distributions from molecules.Phys. Rev. A.83,051401 (2011).
  • Schubert, A., Engel, V.: Two-dimensional vibronic spectroscopy of coherent wave-packet motion.The Journal of Chemical Physics.134,104304 (2011).
  • Hader, K., Engel, V.: Nuclear and electronic momentum distributions from pulse induced photodissociation.Chemical Physics Letters.509,119 - 123 (2011).
  • Schubert, A., Engel, V.: Interference Effects in Vibronic 2D-Spectra of Diatomic Molecules.Zeitschrift für Physikalische Chemie.225,703--714 (2011).
  • Dehm, V., Buchner, M., Seibt, J., Engel, V., Wurthner, F.: Foldamer with a spiral perylene bisimide staircase aggregate structure.Chem. Sci.2,2094-2100 (2011).

2010[ nach oben ]

  • Falge, M., Engel, V., Lein, M.: Vibrational-state and isotope dependence of high-order harmonic generation in water molecules.Phys. Rev. A.81,023412 (2010).
  • Schubert, A., Renziehausen, K., Engel, V.: Mapping of quantum phases by two-dimensional vibronic spectroscopy of wave-packet revivals.Phys. Rev. A.82,013419 (2010).
  • Walter, C., Kritzer, R., Schubert, A., Meier, C., Dopfer, O., Engel, V.: 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[ nach oben ]

  • Seibt, J., Renziehausen, K., Voronine, D.V., Engel, V.: Probing the geometry dependence of molecular dimers with two-dimensional-vibronic spectroscopy.The Journal of Chemical Physics.130,134318 (2009).
  • Seibt, J., Winkler, T., Renziehausen, K., Dehm, V., Würthner, F., Meyer, H.-D., Engel, V.: 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
  • Kritzer, R., Meier, C., Engel, V.: Local control of population transfer in molecules under fluctuating perturbations.Chemical Physics Letters.477,75 - 79 (2009).
  • Renziehausen, K., Marquetand, P., Engel, V.: 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).

2008[ nach oben ]

  • Eisfeld, A., Seibt, J., Engel, V.: On the inversion of geometric parameters from absorption and circular dichroism spectroscopy of molecular dimers.Chemical Physics Letters.467,186 - 190 (2008).
  • Fink, R.F., Seibt, J., Engel, V., Renz, M., Kaupp, M., Lochbrunner, S., Zhao, H.-M., Pfister, J., Würthner, F., Engels, B.: 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
  • Seibt, J., Schaumlöffel, A., Lambert, C., Engel, V.: Quantum Study of the Absorption Spectroscopy of Bis(triarylamine) Radical Cations.The Journal of Physical Chemistry A.112,10178-10184 (2008).
    PMID: 18811125
  • Marquetand, P., Nuernberger, P., Brixner, T., Engel, V.: Molecular dump processes induced by chirped laser pulses.The Journal of Chemical Physics.129,074303 (2008).
  • Seibt, J., Dehm, V., Würthner, F., Engel, V.: Circular dichroism spectroscopy of small molecular aggregates: Dynamical features and size effects.The Journal of Chemical Physics.128,204303 (2008).
  • Seibt, J., Engel, V.: Absorption and emission spectroscopy of molecular trimers: Cyclic versus linear geometries.Chemical Physics.347,120 - 126 (2008).
    Ultrafast Photoinduced Processes in Polyatomic Molecules
  • Marquetand, P., Engel, V.: 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).
  • Gräfe, S., Engel, V., Ivanov, M.Y.: Attosecond Photoelectron Spectroscopy of Electron Tunneling in a Dissociating Hydrogen Molecular Ion.Phys. Rev. Lett.101,103001 (2008).

2007[ nach oben ]

  • Seibt, J., Engel, V.: Wave-packet dynamics in molecular dimers.Chemical Physics.338,143 - 149 (2007).
    Molecular Wave Packet Dynamics
  • Chen, Z., Stepanenko, V., Dehm, V., Prins, P., Siebbeles, L.D.A., Seibt, J., Marquetand, P., Engel, V., Würthner, F.: Photoluminescence and Conductivity of Self-Assembled π–π Stacks of Perylene Bisimide Dyes.Chemistry – A European Journal.13,436--449 (2007).
  • Seibt, J., Engel, V.: 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).
  • Seibt, J., Dehm, V., Würthner, F., Engel, V.: Absorption spectroscopy of molecular trimers.The Journal of Chemical Physics.126,164308 (2007).
  • Gräfe, S., Akimov, D.A., Böhm, B., Zheltikov, A.M., Scully, M.O., Kiefer, W., Engel, V., Siebert, T.: Strong-field dressing of vibrational manifolds within ultrafast coherent Raman excitation.Journal of Raman Spectroscopy.38,998--1005 (2007).
  • Gräfe, S., Kiefer, W., Engel, V.: 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).
  • Marquetand, P., Engel, V.: Local control theory applied to molecular photoassociation.The Journal of Chemical Physics.127,084115 (2007).
  • Marquetand, P., Nuernberger, P., Vogt, G., Brixner, T., Engel, V.: Properties of wave packets deduced from quantum control fitness landscapes.EPL (Europhysics Letters).80,53001 (2007).
  • Seibt, J., Lohr, A., Wurthner, F., Engel, V.: 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).

2006[ nach oben ]

  • Marquetand, P., Engel, V.: Complete local control of molecular excited state photo-fragmentation.Chemical Physics Letters.426,263 - 267 (2006).
  • Seibt, J., Marquetand, P., Engel, V., Chen, Z., Dehm, V., Würthner, F.: On the geometry dependence of molecular dimer spectra with an application to aggregates of perylene bisimide.Chemical Physics.328,354 - 362 (2006).
  • Siebert, T., Schmitt, M., Gräfe, S., Engel, V.: 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).
  • Szeghalmi, A.V., Engel, V., Zgierski, M.Z., Popp, J., Schmitt, M.: The excited-state geometry of 1-hydroxy-2- acetonaphthone: a resonance Raman and quantum chemical study.Journal of Raman Spectroscopy.37,148--160 (2006).
  • Gräfe, S., Marquetand, P., Engel, V.: 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
  • Marquetand, P., Gräfe, S., Scheidel, D., Engel, V.: Local control of the quantum dynamics in multiple potential wells.The Journal of Chemical Physics.124,054325 (2006).
  • Gräfe, S., Engel, V.: Local control theory applied to coupled electronic and nuclear motion.Chemical Physics.329,118 - 125 (2006).
    Electron Correlation and Multimode Dynamics in Molecules
  • Koller, S., Seibt, J., Marquetand, P., Engel, V.: Application of a reflection principle to spectroscopic transitions in molecular dimers.Chemical Physics Letters.433,199 - 203 (2006).

2005[ nach oben ]

  • Eisfeld, A., Braun, L., Strunz, W.T., Briggs, J.S., Beck, J., Engel, V.: Vibronic energies and spectra of molecular dimers.The Journal of Chemical Physics.122,134103 (2005).
  • Gräfe, S., Meier, C., Engel, V.: Instantaneous dynamics and quantum control fields: Principle and numerical applications.The Journal of Chemical Physics.122,184103 (2005).
  • Wollenhaupt, M., Engel, V., Baumert, T.: 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
  • Gräfe, S., Engel, V.: On the control of resonant versus non-resonant electronic transitions in molecular photodissociation.Chemical Physics Letters.414,17 - 22 (2005).
  • Henriksen, N.E., Moller, K.B., Engel, V.: Isotope effects in the photofragmentation of symmetric molecules: The branching ratio of OD∕OH in water.The Journal of Chemical Physics.122,204320 (2005).
  • Gräfe, S., Erdmann, M., Engel, V.: Population transfer in the multiphoton excitation of molecules.Phys. Rev. A.72,013404 (2005).
  • Marquetand, P., Engel, V.: Predissociation and dissociation dynamics in quantum control fields.Chemical Physics Letters.407,471 - 476 (2005).
  • Marquetand, P., Engel, V.: Femtosecond pulse induced predissociation dynamics in static electric fields.Phys. Chem. Chem. Phys.7,469-474 (2005).
  • Marquetand, P., Meier, C., Engel, V.: Local control of molecular fragmentation: The role of orientation.The Journal of Chemical Physics.123,204320 (2005).

2004[ nach oben ]

  • Erdmann, M., Gross, E.K.U., Engel, V.: Time-dependent electron localization functions for coupled nuclear-electronic motion.The Journal of Chemical Physics.121,9666--9670 (2004).
  • Dopfer, O., Engel, V.: Infrared spectrum and predissociation dynamics of H₂O⁺-Ar.The Journal of Chemical Physics.121,12345 (2004).
  • Szeghalmi, A.V., Erdmann, M., Engel, V., Schmitt, M., Amthor, S., Kriegisch, V., Nöll, G., Stahl, R., Lambert, C., Leusser, D., Stalke, D., Zabel, M., Popp, J.: 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
  • Gräfe, S., Marquetand, P., Engel, V., Henriksen, N.E., Møller, K.B.: Quantum control fields from instantaneous dynamics.Chemical Physics Letters.398,180 - 185 (2004).
  • Erdmann, M., Baumann, S., Gräfe, S., Engel, V.: Electronic predissociation: a model study.The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics.30,327--333 (2004).
  • Gräfe, S., Scheidel, D., Engel, V., Henriksen, N.E., Møller, K.B.: Approaches to Wave Packet Imaging Using Femtosecond Ionization Spectroscopy.The Journal of Physical Chemistry A.108,8954-8960 (2004).
  • Lohmüller, T., Engel, V., Beswick, J.A., Meier, C.: Fractional revivals in the rovibrational motion of I₂.The Journal of Chemical Physics.120,10442--10449 (2004).
  • Erdmann, M., Engel, V.: Combined electronic and nuclear dynamics in a simple model system. II. Spectroscopic transitions.The Journal of Chemical Physics.120,158--164 (2004).
  • Gräfe, S., Engel, V.: Indirect versus direct photoionization with ultrashort pulses: interferences and time-resolved bond-length changes.Chemical Physics Letters.385,60 - 65 (2004).
  • Marquetand, P., Materny, A., Henriksen, N.E., Engel, V.: 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).

2003[ nach oben ]

  • Flachenecker, G., Ermoshin, V.A., Engel, V., Neder, R., Wirnsberger, G., Materny, A.: 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).
  • Siebert, T., Sbanski, O., Schmitt, M., Engel, V., Kiefer, W., Popp, J.: The mechanism of light storage in spherical microcavities explored on a femtosecond time scale.Optics Communications.216,321 - 327 (2003).
  • Lohmüller, T., Erdmann, M., Engel, V.: Chirped pulse ionization: bondlength dynamics and interference effects.Chemical Physics Letters.373,319 - 327 (2003).
  • Erdmann, M., Marquetand, P., Engel, V.: Combined electronic and nuclear dynamics in a simple model system.The Journal of Chemical Physics.119,672--679 (2003).
  • Lohmüller, T., Erdmann, M., Rubner, O., Engel, V.: Determination of transition dipole moments from time–resolved photoelectron spectroscopy.Eur. Phys. J. D.25,95-99 (2003).
  • Siebert, T., Engel, V., Materny, A., Kiefer, W., Schmitt, M.: 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).

2002[ nach oben ]

  • Gräfe, S., Erdmann, M., Engel, V.: Cationic molecular wave packets: "Settin' the pace".The Journal of Chemical Physics.116,4762 (2002).
  • Lein, M., Gross, E.K.U., Engel, V.: The Effect of the Electron-Electron Interaction in Above-Threshold Double Ionization.Laser Physics.12,487-490 (2002).
  • Erdmann, M., Shen, Z., Engel, V.: Femtosecond time-resolved photoelectron spectroscopy with high frequency probe pulses.Chemical Physics Letters.351,275 - 280 (2002).
  • Lein, M., Kreibich, T., Gross, E.K.U., Engel, V.: Strong-field ionization dynamics of a model H₂ molecule.Physical Review A.65, (2002).
  • Erdmann, M., Rubner, O., Shen, Z., Engel, V.: Time-resolved photoelectron spectroscopy:.Journal of Organometallic Chemistry.661,191 - 197 (2002).
  • Dietz, H., Marek, M., Münster, A.F., Engel, V.: Applications of the Karhunen-Loève Decomposition to Quantum Dynamical Problems.Zeitschrift für Physikalische Chemie.216, (2002).
  • Ermoshin, V.A., Erdmann, M., Engel, V.: Fermi–Pasta–Ulam recurrences, normal modes and wave-packet revivals.Chemical Physics Letters.356,29 - 35 (2002).
  • Siebert, T., Maksimenka, R., Materny, A., Engel, V., Kiefer, W., Schmitt, M.: 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).
  • Shen, Z., Engel, V., Xu, R., Cheng, J., Yan, Y.J.: Optimal pumptextendashdump control and time-frequency resolved spectroscopy of ground-state wave-packet focusing.The Journal of Chemical Physics.117,6142--6147 (2002).
  • Meier, C., Engel, V.: Time-resolved photoelectron spectroscopy of molecular dissociation: Classical trajectory versus quantum wave-packet calculations.Phys. Chem. Chem. Phys.4,5014-5019 (2002).
  • Shen, Z., Engel, V.: Target wave-packet control and its detection using time-resolved photoelectron spectroscopy.Chemical Physics Letters.358,344 - 349 (2002).
  • Siebert, T., Schmitt, M., Engel, V., Materny, A., Kiefer, W.: 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[ nach oben ]

  • Kazansky, A.K., Ermoshin, V.A., Engel, V.: Phase-energy approach to collision-induced vibrational relaxation.The Journal of Chemical Physics.113,8865--8868 (2000).
  • Lein, M., Gross, E.K.U., Engel, V.: Intense-Field Double Ionization of Helium: Identifying the Mechanism.Phys. Rev. Lett.85,4707--4710 (2000).
  • Ermoshin, V.A., Engel, V., Meier, C.: Oscillatory pumptextendashprobe signals from delocalized wave packets.The Journal of Chemical Physics.113,5770--5775 (2000).
  • Ermoshin, V.A., Engel, V.: Stochastic trajectory simulation of femtosecond pumptextendashprobe spectroscopy.Chemical Physics Letters.332,110--116 (2000).
  • Materny, A., Chen, T., Schmitt, M., Siebert, T., Vierheilig, A., Engel, V., Kiefer, W.: Wave packet dynamics in different electronic states investigated by femtosecond time-resolved four-wave-mixing spectroscopy.Applied Physics B.71,299--317 (2000).
  • Meyer, S., Engel, V.: Non-perturbative wave-packet calculations of time-resolved four-wave-mixing signals.Applied Physics B.71,293--297 (2000).
  • Ermoshin, V.A., Engel, V.: Molecular Dynamics Simulation of Femtosecond Pump-Probe Experiments on I₂ in Ar Environments.Zeitschrift für Physikalische Chemie.214, (2000).
  • Rubner, O., Baumert, T., Bergt, M., Kiefer, B., Gerber, G., Engel, V.: Theoretical analysis of femtosecond excitation and fragmentation dynamics of Fe(CO)₅.Chemical Physics Letters.316,585--592 (2000).
  • Lein, M., Erdmann, M., Engel, V.: Characterization of nuclear wave packets describing molecular photodissociation.The Journal of Chemical Physics.113,3609--3614 (2000).
  • Alberti, S.F., Echave, J., Engel, V., Halberstadt, N., Beswick, J.A.: Hybrid quantum/classical study of ICN in an Ar matrix: Photofragmentation and cage exit.The Journal of Chemical Physics.113,1027--1034 (2000).
  • Lein, M., Gross, E.K.U., Engel, V.: On the mechanism of strong-field double photoionization in the helium atom.Journal of Physics B: Atomic, Molecular and Optical Physics.33,433 (2000).
  • Siebert, T., Schmitt, M., Vierheilig, A., Flachenecker, G., Engel, V., Materny, A., Kiefer, W.: Separation of vibrational and rotational coherences with polarized femtosecond time-resolved four-wave mixing spectroscopy.Journal of Raman Spectroscopy.31,25--31 (2000).
  • Engel, V., Henriksen, N.E.: Mapping of wave packets in direct fragmentation via pumptextendashprobe frequency integrated fluorescence spectroscopy.The Journal of Chemical Physics.112,106--111 (2000).
  • Meyer, S., Engel, V.: Femtosecond time-resolved CARS and DFWM spectroscopy on gas-phase I₂: a wave-packet description.Journal of Raman Spectroscopy.31,33--39 (2000).
  • Ermoshin, V.A., Engel, V., Meier, C.: Collision-induced bound state motion in I₂. A classical molecular dynamics study.The Journal of Chemical Physics.113,6585--6591 (2000).
  • Trump, C., Rottke, H., Wittmann, M., Korn, G., Sandner, W., Lein, M., Engel, V.: Pulse-width and isotope effects in femtosecond-pulse strong-field dissociation of H₂⁺ and D₂⁺.Phys. Rev. A.62,063402 (2000).

1999[ nach oben ]

  • Henriksen, N.E., Engel, V.: On the deconvolution of the temporal width of laser pulses from pumptextendashprobe signals.The Journal of Chemical Physics.111,10469--10475 (1999).
  • Ermoshin, V.A., Kazansky, A.K., Engel, V.: Quantum-classical molecular dynamics simulation of femtosecond spectroscopy on I₂ in inert gases: Mechanisms for the decay of pumptextendashprobe signals.The Journal of Chemical Physics.111,7807--7817 (1999).
  • Ermoshin, V.A., Flachenecker, G., Materny, A., Engel, V.: Classical simulations on the pump–probe spectroscopy of I₂ encapsulated in DDR porosil.Chemical Physics Letters.311,146--152 (1999).
  • Chen, T., Engel, V., Heid, M., Kiefer, W., Knopp, G., Materny, A., Meyer, S., Pausch, R., Schmitt, M., Schwoerer, H., Siebert, T.: 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).
  • Ermoshin, V.A., Engel, V.: 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).
  • Rubner, O., Engel, V., Hachey, M.R., Daniel, C.: A CASSCF/MR-CCI study of the excited states of Fe(CO)₅.Chemical Physics Letters.302,489--494 (1999).
  • Ermoshin, V.A., Kazansky, A.K., Engel, V.: 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).
  • Meyer, S., Schmitt, M., Materny, A., Kiefer, W., Engel, V.: Simulation of femtosecond time-resolved four-wave mixing experiments on I₂.Chemical Physics Letters.301,248--254 (1999).
  • Herwig, A., Braun, M., Engel, V.: Structures in molecular photofragment and photoelectron distributions from two-photon non-resonant excitation.Chemical Physics Letters.300,269--274 (1999).
  • Dietz, H., Engel, V.: 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).
  • Anfinrud, P., de Vivie-Riedle, R., Engel, V.: Ultrafast detection and control of molecular dynamics.Proceedings of the National Academy of Sciences.96,8328--8329 (1999).

1998[ nach oben ]

  • Meier, C., Engel, V., Manthe, U.: An effective method for the quantum mechanical description of photoionization with ultrashort intense laser pulses.The Journal of Chemical Physics.109,36--41 (1998).
  • Meier, C., Engel, V., Beswick, J.A.: Single-collision caging of dissociating I₂: wave packet calculations and simulation of femtosecond spectra.Chemical Physics Letters.287,487--495 (1998).
  • Braun, M., Metiu, H., Engel, V.: Molecular femtosecond excitation described within the Gaussian wave packet approximation.The Journal of Chemical Physics.108,8983--8988 (1998).
  • Braun, M., Materny, A., Schmitt, M., Kiefer, W., Engel, V.: 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).
  • Meyer, S., Meier, C., Engel, V.: Photoelectron distributions from femtosecond pump/probe excitation with chirped probe pulses.The Journal of Chemical Physics.108,7631--7636 (1998).
  • Rubner, O., Engel, V.: Fragmentation dynamics of Fe(CO)₅ upon femtosecond excitation: a time-dependent statistical description.Chemical Physics Letters.293,485 - 490 (1998).
  • Rubner, O., Schmitt, M., Knopp, G., Materny, A., Kiefer, W., Engel, V.: 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).
  • Dietz, H., Engel, V.: Geminate recombination processes induced by rare gas collisions with predissociating NaI molecules prepared by femtosecond excitation.Theoretical Chemistry Accounts.100,199--203 (1998).
  • Dietz, H., Engel, V.: Pump/Probe Spectroscopy of NaI in Rare Gas Environments:  A Statistical Description.The Journal of Physical Chemistry A.102,7406-7413 (1998).

1997[ nach oben ]

  • Hüpper, B., Eckhardt, B., Engel, V.: Semiclassical photodissociation cross section for H₂O.Journal of Physics B: Atomic, Molecular and Optical Physics.30,3191 (1997).
  • Meyer, S., Schmitt, M., Materny, A., Kiefer, W., Engel, V.: A theoretical analysis of the time-resolved femtosecond CARS spectrum of I₂.Chemical Physics Letters.281,332--336 (1997).
  • Meyer, S., Engel, V.: Vibrational Revivals and the Control of Photochemical Reactions.The Journal of Physical Chemistry A.101,7749-7753 (1997).
  • Schwoerer, H., Pausch, R., Heid, M., Engel, V., Kiefer, W.: Femtosecond time-resolved two-photon ionization spectroscopy of K₂.The Journal of Chemical Physics.107,9749--9754 (1997).
  • Dietz, H., Knopp, G., Materny, A., Engel, V.: The perturbation of coherent wave-packet dynamics by atom/molecule collisions: the NaI + Ar system.Chemical Physics Letters.275,519--526 (1997).
  • Rubner, O., Meier, C., Engel, V.: 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).
  • Markert, T., Malisch, W., Engel, V.: Vibrational dynamics and energy flow in a multi-mode organometallic compound.Chemical Physics Letters.270,222--228 (1997).
  • Eichelsdörfer, M., Engel, V.: 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).
  • Braun, M., Engel, V.: Pump/probe direct photoionization from thermally hot samples: the Cs₂ molecule.Zeitschrift für Physik D Atoms, Molecules and Clusters.39,301--307 (1997).
  • Dietz, H., Materny, A., Engel, V.: Stimulated emission processes and strong field effects in ultrashort pulse excitation of a predissociative molecule.Chemical Physics.217,249--257 (1997).

1996[ nach oben ]

  • Dietz, H., Braun, M., Meier, C., Engel, V.: Addendum to: Nanosecond wave-packet propagation with the split-operator technique [Comput. Phys. Commun. 93 (1996) 152].Computer Physics Communications.98,265 (1996).
  • Eichelsdörfer, M., Engel, V.: Short-time wave-packet dynamics and the reflection principle of continuum resonance Raman scattering.Chemical Physics Letters.263,640--644 (1996).
  • Dietz, H., Engel, V.: Wave-packet interference and stabilization of a predissociating molecule.Chemical Physics Letters.255,258--262 (1996).

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Professur für Theoretische Chemie am Institut für Physikalische und Theoretische Chemie
Emil-Fischer-Straße 42
Campus Hubland Nord
97074 Würzburg

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Hubland Nord, Geb. 42
Hubland Nord, Geb. 42