English Intern
Arbeitsgruppe Engel

Publikationen des Arbeitskreises von Volker Engel

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

2017 [ nach oben ]

  • 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).
     
  • 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).
     
  • 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).
     
  • 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).
     
  • 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).
     
  • 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).
     
  • 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. - (2017).
     
  • Schaupp, T., Albert, J., Engel, V.: Correlated electron-nuclear dissociation dynamics: classical versus quantum motion. The European Physical Journal D. 71, 91 (2017).
     

2016 [ nach oben ]

  • 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).
     
  • 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).
     
  • Brüning, C., Wehner, J., Hausner, J., Wenzel, M., Engel, V.: Exciton dynamics in perturbed vibronic molecular aggregates. Structural Dynamics. 3, 043201 (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).
     
  • 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).
     
  • Keß, M., Engel, V.: Two-dimensional femtosecond optical spectroscopy of trapping dynamics in a charge-transfer process. Chemical Physics Letters. 650, 41 - 46 (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).
     
  • 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., 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).
     
  • 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).
     
  • 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).
     
  • 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).
     
  • Kess, M., Brüning, C., Engel, V.: Multiple time scale population transfer-dynamics in coupled electronic states. Chemical Physics. 442, 26 - 30 (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).
     
  • 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).
     
  • 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).
     
  • 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).
     

2013 [ nach oben ]

  • Albert, J., Schubert, A., Engel, V.: Two-dimensional vibronic spectroscopy of molecular predissociation. New Journal of Physics. 15, 025008 (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).
     
  • 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).
     
  • 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).
     
  • Renziehausen, K., Hader, K., Jakubetz, W., Engel, V.: Weak-Field, Multiple-Cycle Carrier Envelope Phase Effects in Laser Excitation. ChemPhysChem. 14, 1464--1470 (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).
     
  • 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).
     

2012 [ nach oben ]

  • 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).
     
  • 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).
     
  • Hader, K., Engel, V.: Fragment momentum distributions obtained from coupled electron-nuclear dynamics. The Journal of Chemical Physics. 136, 104306 (2012).
     
  • 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).
     
  • Wehner, J., Schubert, A., Engel, V.: Vibronic energy localization in weakly coupled small molecular aggregates. Chemical Physics Letters. 541, 49 - 53 (2012).
     

2011 [ nach oben ]

  • 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).
     
  • Falge, M., Engel, V., Gräfe, S.: Time-resolved photoelectron spectroscopy of coupled electron-nuclear motion. The Journal of Chemical Physics. 134, 184307 (2011).
     
  • Hader, K., Engel, V.: Nuclear and electronic momentum distributions from pulse induced photodissociation. Chemical Physics Letters. 509, 119 - 123 (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.: Interference Effects in Vibronic 2D-Spectra of Diatomic Molecules. Zeitschrift für Physikalische Chemie. 225, 703--714 (2011).
     
  • Schubert, A., Engel, V.: Two-dimensional vibronic spectroscopy of coherent wave-packet motion. The Journal of Chemical Physics. 134, 104304 (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).
     

2009 [ nach oben ]

  • 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).
     
  • 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).
     
  • 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).
     

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).
     
  • 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).
     
  • 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).
     
  • 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., 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).
     
  • 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).
     

2007 [ nach oben ]

  • 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).
     
  • 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).
     
  • 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).
     
  • 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).
     
  • Marquetand, P., Engel, V.: Local control theory applied to molecular photoassociation. The Journal of Chemical Physics. 127, 084115 (2007).
     
  • Seibt, J., Dehm, V., Würthner, F., Engel, V.: Absorption spectroscopy of molecular trimers. The Journal of Chemical Physics. 126, 164308 (2007).
     
  • Seibt, J., Engel, V.: Wave-packet dynamics in molecular dimers. Chemical Physics. 338, 143 - 149 (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., 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 ]

  • Gräfe, S., Engel, V.: Local control theory applied to coupled electronic and nuclear motion. Chemical Physics. 329, 118 - 125 (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).
     
  • 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).
     
  • Marquetand, P., Engel, V.: Complete local control of molecular excited state photo-fragmentation. Chemical Physics Letters. 426, 263 - 267 (2006).
     
  • 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).
     
  • 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).
     

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., Erdmann, M., Engel, V.: Population transfer in the multiphoton excitation of molecules. Phys. Rev. A. 72, 013404 (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).
     
  • 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).
     
  • Marquetand, P., Engel, V.: Femtosecond pulse induced predissociation dynamics in static electric fields. Phys. Chem. Chem. Phys. 7, 469-474 (2005).
     
  • Marquetand, P., Engel, V.: Predissociation and dissociation dynamics in quantum control fields. Chemical Physics Letters. 407, 471 - 476 (2005).
     
  • Marquetand, P., Meier, C., Engel, V.: Local control of molecular fragmentation: The role of orientation. The Journal of Chemical Physics. 123, 204320 (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).
     

2004 [ nach oben ]

  • Dopfer, O., Engel, V.: Infrared spectrum and predissociation dynamics of H₂O⁺-Ar. The Journal of Chemical Physics. 121, 12345 (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).
     
  • 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).
     
  • 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).
     
  • 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).
     
  • 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).
     
  • 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).
     
  • 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).
     
  • 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).
     
  • 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).
     

2003 [ nach oben ]

  • 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).
     
  • 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).
     
  • Lohmüller, T., Erdmann, M., Engel, V.: Chirped pulse ionization: bondlength dynamics and interference effects. Chemical Physics Letters. 373, 319 - 327 (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).
     
  • 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).
     

2002 [ nach oben ]

  • 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).
     
  • Erdmann, M., Rubner, O., Shen, Z., Engel, V.: Time-resolved photoelectron spectroscopy:. Journal of Organometallic Chemistry. 661, 191 - 197 (2002).
     
  • Erdmann, M., Shen, Z., Engel, V.: Femtosecond time-resolved photoelectron spectroscopy with high frequency probe pulses. Chemical Physics Letters. 351, 275 - 280 (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).
     
  • 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).
     
  • Lein, M., Kreibich, T., Gross, E.K.U., Engel, V.: Strong-field ionization dynamics of a model H₂ molecule. Physical Review A. 65, (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).
     
  • 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).
     
  • 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).
     
  • 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).
     

2000 [ nach oben ]

  • 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).
     
  • 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).
     
  • 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).
     
  • 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).
     
  • Ermoshin, V.A., Engel, V.: Molecular Dynamics Simulation of Femtosecond Pump-Probe Experiments on I₂ in Ar Environments. Zeitschrift für Physikalische Chemie. 214, (2000).
     
  • 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.: On the mechanism of strong-field double photoionization in the helium atom. Journal of Physics B: Atomic, Molecular and Optical Physics. 33, 433 (2000).
     
  • Lein, M., Erdmann, M., Engel, V.: Characterization of nuclear wave packets describing molecular photodissociation. The Journal of Chemical Physics. 113, 3609--3614 (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).
     
  • 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.: Femtosecond time-resolved CARS and DFWM spectroscopy on gas-phase I₂: a wave-packet description. Journal of Raman Spectroscopy. 31, 33--39 (2000).
     
  • Meyer, S., Engel, V.: Non-perturbative wave-packet calculations of time-resolved four-wave-mixing signals. Applied Physics B. 71, 293--297 (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).
     
  • 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).
     
  • 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 ]

  • 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).
     
  • 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).
     
  • 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).
     
  • 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).
     
  • 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).
     
  • 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., 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).
     
  • 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).
     
  • 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).
     
  • 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).
     
  • 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).
     

1998 [ nach oben ]

  • 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).
     
  • 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).
     
  • 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).
     
  • 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).
     
  • 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).
     
  • 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).
     

1997 [ nach oben ]

  • 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., 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).
     
  • 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).
     
  • 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).
     
  • Hüpper, B., Eckhardt, B., Engel, V.: Semiclassical photodissociation cross section for H₂O. Journal of Physics B: Atomic, Molecular and Optical Physics. 30, 3191 (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).
     
  • 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).
     
  • 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).
     
  • 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).
     

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).
     
  • Dietz, H., Engel, V.: Wave-packet interference and stabilization of a predissociating molecule. Chemical Physics Letters. 255, 258--262 (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).
     
Kontakt

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