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Deutsch Intern
    research group of Prof. V. Engel

    Publications

    Publications of the research group of Prof. Volker Engel

    2023[ to top ]
    • Differential Shannon Entropies Characterizing Electron-Nuclear Dynamics and Correlation: Momentum-Space Versus Coordinate-Space Wave Packet Motion Schürger, Peter; Engel, Volker in Entropy (2023). 25(7) 970.
    • Information Theoretical Approach to Coupled Electron-Nuclear Wave Packet Dynamics: Time-Dependent Differential Shannon Entropies Schürger, Peter; Engel, Volker in The Journal of Physical Chemistry Letters (2023). 334–339.
    2022[ to top ]
    • Third-order pump-probe spectroscopy applied to molecular dimers: Characterization of relaxation dynamics and exciton--exciton annihilation Glaab, Fabian; Süß, Jasmin; Engel, Volker in Phys. Chem. Chem. Phys. (2022). -.
    • Excitation localization in a trimeric perylenediimide macrocycle: Synthesis, theory, and single molecule spectroscopy Hauschildt, Simon J.; Wu, Zehua; Uersfeld, Daniel; Schmid, Paul; Götz, Christian; Engel, Volker; Engels, Bernd; Müllen, Klaus; Basch{\’{e}}, Thomas in The Journal of Chemical Physics (2022). 156(4) 044304.
    • Quantum flux densities for electronic-nuclear motion: exact versus Born-Oppenheimer dynamics Schaupp, Thomas; Engel, Volker in Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences (2022). 380(2223) 25316–25326.
    • Correlated three-dimensional electron-nuclear motion: Adiabatic dynamics vs passage of conical intersections Schaupp, Thomas; Engel, Volker in The Journal of Chemical Physics (2022). 156(7) 074302.
    • Time-Dependent Expectation Values from Integral Equations for Quantum Flux and Probability Densities Schürger, P.; Renziehausen, K.; Schaupp, T.; Barth, I.; Engel, V. in The Journal of Physical Chemistry A (2022).
    • Wave packet dynamics in an harmonic potential disturbed by disorder: Entropy, uncertainty, and vibrational revivals Schürger, Peter; Schaupp, Thomas; Kaiser, Dustin; Engels, Bernd; Engel, Volker in The Journal of Chemical Physics (2022). 156(5) 054303.
    • Nuclear-Electron Correlation Effects and Their Photoelectron Imprint in Molecular XUV Ionisation Ziems, Karl Michael; Bruhnke, Jakob; Engel, Volker; Gräfe, Stefanie in Frontiers in Chemistry (2022). 10
    2021[ to top ]
    • Optically Induced Charge Transfer in Organic Mixed-Valence Systems: Wave Packet Dynamics and Femtosecond Transient Spectroscopy Glaab, F.; Lambert, C.; Engel, V. in The Journal of Physical Chemistry A (2021). 125(19) 4114–4125.
    • Time-dependent momentum expectation values from different quantum probability and flux densities Schaupp, Thomas; Renziehausen, Klaus; Barth, Ingo; Engel, Volker in The Journal of Chemical Physics (2021). 154(6) 064307.
    • Twisting versus Delocalization in CAAC- and NHC-Stabilized Boron-Based Biradicals: The Roles of Sterics and Electronics Schmid, Paul; Fantuzzi, Felipe; Klopf, Jonas; Schröder, Niklas B.; Dewhurst, Rian D.; Braunschweig, Holger; Engel, Volker; Engels, Bernd in Chemistry – A European Journal (2021). 27(16) 5160–5170.
    2020[ to top ]
    • Naphthoquinones as Covalent Reversible Inhibitors of Cysteine Proteases{\textemdash}Studies on Inhibition Mechanism and Kinetics Klein, Philipp; Barthels, Fabian; Johe, Patrick; Wagner, Annika; Tenzer, Stefan; Distler, Ute; Le, Thien Anh; Schmid, Paul; Engel, Volker; Engels, Bernd; Hellmich, Ute A.; Opatz, Till; Schirmeister, Tanja in Molecules (2020). 25(9) 2064.
    • cAAC-Stabilized 9,10-diboraanthracenes—Acenes with Open-Shell Singlet Biradical Ground States Saalfrank, Christian; Fantuzzi, Felipe; Kupfer, Thomas; Ritschel, Benedikt; Hammond, Kai; Krummenacher, Ivo; Bertermann, Rüdiger; Wirthensohn, Raphael; Finze, Maik; Schmid, Paul; Engel, Volker; Engels, Bernd; Braunschweig, Holger in Angewandte Chemie International Edition (2020). 59(43) 19338–19343.
    • Born–Oppenheimer and non-Born–Oppenheimer contributions to time-dependent electron momenta Schaupp, Thomas; Engel, Volker in J. Chem. Phys. (2020). 152(20) 204310.
    • Exciton–exciton annihilation in a molecular trimer: Wave packet dynamics and 2D spectroscopy Süß, J; Engel, V in J. Chem. Phys. (2020). 153(16) 164310.
    • A wave packet picture of exciton–exciton annihilation: Molecular dimer dynamics Süß, J; Engel, V in J. Chem. Phys. (2020). 152(17) 174305.
    2019[ to top ]
    • Optically Induced Electron Transfer in Mixed-Valence States: A Model Study on Electronic Transitions, Relaxation Dynamics, and Transient Absorption Spectroscopy Glaab, Fabian; Wehner, Johannes G.; Lambert, Christoph; Engel, Volker in J. Phys. Chem. A (2019). 123 5463–5471.
    • Lewis-Base Stabilization of the Parent Al(I) Hydride under Ambient Conditions Mellerup, Soren K.; Cui, Yunshu; Fantuzzi, Felipe; Schmid, Paul; Goettel, James T.; Bélanger-Chabot, Guillaume; Arrowsmith, Merle; Krummenacher, Ivo; Ye, Qing; Engel, Volker; Engels, Bernd; Braunschweig, Holger in Journal of the American Chemical Society (2019). 141(42) 16954–16960.
    • A classical ride through a conical intersection Schaupp, Thomas; Engel, Volker in J. Chem. Phys. (2019). 150(3) 034301.
    • On the calculation of time-dependent electron momenta within the Born-Oppenheimer approximation Schaupp, Thomas; Engel, Volker in J. Chem. Phys. (2019). 150(16) 164110.
    • Electronic and nuclear flux dynamics at a conical intersection Schaupp, Thomas; Engel, Volker in J. Chem. Phys. (2019). 151(8) 084309.
    • Mapping of exciton–exciton annihilation in a molecular dimer via fifth-order femtosecond two-dimensional spectroscopy Süß, J; Wehner, J; Dostál, J; Brixner, T; Engel, V in J. Chem. Phys. (2019). 150(10) 104304.
    2018[ to top ]
    • Time-dependent electron momenta from Born-Oppenheimer calculations Schaupp, Thomas; Albert, Julian; Engel, Volker in The European Physical Journal B (2018). 91(6) 97.
    • Stochastically correlated versus uncorrelated quantum-state diffusion dynamics in different electronic states: third-order polarizations and two-dimensional vibronic spectra Wehner, Johannes; Engel, Volker in Chemical Physics (2018). 515 102–107.
    2017[ to top ]
    • Communication: On the calculation of time-dependent electron flux within the Born-Oppenheimer approximation: A flux-flux reflection principle Albert, Julian; Hader, Kilian; Engel, Volker in The Journal of Chemical Physics (2017). 147(24) 241101.
    • Coupled electron-nuclear quantum dynamics through and around a conical intersection Albert, Julian; Hader, Kilian; Engel, Volker in The Journal of Chemical Physics (2017). 147(6) 064302.
    • 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 Bellinger, Daniel; Pflaum, Jens; Brüning, Christoph; Engel, Volker; Engels, Bernd in Phys. Chem. Chem. Phys. (2017). 19(3) 2434–2448.
    • On the time-dependent calculation of angular averaged vibronic absorption spectra with an application to molecular aggregates Brüning, Christoph; Engel, Volker in Chemical Physics (2017). 482 64–68.
    • Geometrical Optimization Approach to Isomerization: Models and Limitations Chang, Bo Y.; Shin, Seokmin; Engel, Volker; Sola, Ignacio R. in The Journal of Physical Chemistry A (2017). 121(43) 8280–8287.
    • The dimer-approach to characterize opto-electronic properties of and exciton trapping and diffusion in organic semiconductor aggregates and crystals Engels, Bernd; Engel, Volker in Phys. Chem. Chem. Phys. (2017). 19(20) 12604–12619.
    • Time-resolved photoelectron spectroscopy of IR-driven electron dynamics in a charge transfer model system Falge, Mirjam; Frobel, Friedrich Georg; Engel, Volker; Gräfe, Stefanie in Phys. Chem. Chem. Phys. (2017). 19(30) 19683–19690.
    • Electron-nuclear wave-packet dynamics through a conical intersection Hader, Kilian; Albert, Julian; Gross, E. K. U.; Engel, Volker in The Journal of Chemical Physics (2017). 146(7) 074304.
    • Mapping of exciton-exciton annihilation in MEH-PPV by time-resolved spectroscopy: experiment and microscopic theory Hader, Kilian; Consani, Cristina; Brixner, Tobias; Engel, Volker in Phys. Chem. Chem. Phys. (2017). 19(47) 31989–31996.
    • Correlated electron-nuclear dissociation dynamics: classical versus quantum motion Schaupp, Thomas; Albert, Julian; Engel, Volker in The European Physical Journal D (2017). 71(4) 91.
    2016[ to top ]
    • Femtosecond time-resolved four-wave mixing spectroscopy of coupled electron-nuclear motion Albert, Julian; Engel, Volker in Asian Journal of Physics (2016). 25(2) 189–197.
    • Communication: Adiabatic and non-adiabatic electron-nuclear motion: Quantum and classical dynamics Albert, Julian; Kaiser, Dustin; Engel, Volker in The Journal of Chemical Physics (2016). 144(17) 171103.
    • Exciton-Vibrational Couplings in Homo- and Heterodimer Stacks of Perylene Bisimide Dyes within Cyclophanes: Studies on Absorption Properties and Theoretical Analysis Bialas, David; Brüning, Christoph; Schlosser, Felix; Fimmel, Benjamin; Thein, Johannes; Engel, Volker; Würthner, Frank in Chemistry – A European Journal (2016). 22(42) 15011–15018.
    • Exciton dynamics in perturbed vibronic molecular aggregates Brüning, C.; Wehner, J.; Hausner, J.; Wenzel, M.; Engel, V. in Structural Dynamics (2016). 3(4) 043201.
    • Identification of effective exciton-exciton annihilation in squaraine-squaraine copolymers Hader, Kilian; May, Volkhard; Lambert, Christoph; Engel, Volker in Phys. Chem. Chem. Phys. (2016). 18(19) 13368–13374.
    • Two-dimensional femtosecond optical spectroscopy of trapping dynamics in a charge-transfer process Keß, Martin; Engel, Volker in Chemical Physics Letters (2016). 650 41–46.
    • Two-dimensional vibronic spectroscopy of molecular aggregates: Trimers, dimers, and monomers Ke{\ss}, M.; Worth, G.; Engel, V. in The Journal of Chemical Physics (2016). 145(8) 084305.
    • How fast is optically induced electron transfer in organic mixed valence systems? Lambert, C.; Moos, M.; Schmiedel, A.; Holzapfel, M.; Schafer, J.; Kess, M.; Engel, V. in Phys. Chem. Chem. Phys. (2016). 18(28) 19405–19411.
    • Two-dimensional optical spectroscopy of homo- and heterodimers Wehner, Johannes; Engel, Volker in Phys. Chem. Chem. Phys. (2016). 18(48) 32910–32920.
    2015[ to top ]
    • Communication: Vibrational and vibronic coherences in the two dimensional spectroscopy of coupled electron-nuclear motion Albert, Julian; Falge, Mirjam; Gomez, Sandra; Sola, Ignacio R.; Hildenbrand, Heiko; Engel, Volker in The Journal of Chemical Physics (2015). 143(4) 041102.
    • Extended quantum jump description of vibronic two-dimensional spectroscopy Albert, Julian; Falge, Mirjam; Ke{\ss}, Martin; Wehner, Johannes G.; Zhang, Pan-Pan; Eisfeld, Alexander; Engel, Volker in The Journal of Chemical Physics (2015). 142(21) 212440.
    • Macrocyclic cis-Indolenine Squaraine Dyes as Efficient Near Infrared Emitters Brüning, Christoph; Welz, Eileen; Heilos, Anna; Stehr, Vera; Walter, Christof; Engels, Bernd; Völker, Sebastian F.; Lambert, Christoph; Engel, Volker in The Journal of Physical Chemistry C (2015). 119(11) 6174–6180.
    2014[ to top ]
    • The time-scale of nonlinear events driven by strong fields: can one control the spin coupling before ionization runs over? Falge, Mirjam; Vindel-Zandbergen, Patricia; Engel, Volker; Lein, Manfred; Chang, Bo Y; Sola, Ignacio R in Journal of Physics B: Atomic, Molecular and Optical Physics (2014). 47(12) 124027.
    • Coherent and incoherent contributions to the carrier-envelope phase control of wave packet localization in quantum double wells Hader, K.; Engel, V. in The Journal of Chemical Physics (2014). 140(18) 184316.
    • Multiple time scale population transfer-dynamics in coupled electronic states Kess, Martin; Brüning, Christoph; Engel, Volker in Chemical Physics (2014). 442 26–30.
    • Theoretical Analysis of the Relaxation Dynamics in Perylene Bisimide Dimers Excited by Femtosecond Laser Pulses Schubert, Alexander; Falge, Mirjam; Kess, Martin; Settels, Volker; Lochbrunner, Stefan; Strunz, Walter T.; Würthner, Frank; Engels, Bernd; Engel, Volker in The Journal of Physical Chemistry A (2014). 118(8) 1403–1412.
    • Identification of Ultrafast Relaxation Processes As a Major Reason for Inefficient Exciton Diffusion in Perylene-Based Organic Semiconductors Settels, Volker; Schubert, Alexander; Tafipolski, Maxim; Liu, Wenlan; Stehr, Vera; Topczak, Anna K.; Pflaum, Jens; Deibel, Carsten; Fink, Reinhold F.; Engel, Volker; Engels, Bernd in Journal of the American Chemical Society (2014). 136(26) 9327–9337.
    • Singlet–Singlet Exciton Annihilation in an Exciton-Coupled Squaraine-Squaraine Copolymer: A Model toward Hetero-J-Aggregates Völker, Sebastian F.; Schmiedel, Alexander; Holzapfel, Marco; Renziehausen, Klaus; Engel, Volker; Lambert, Christoph in The Journal of Physical Chemistry C (2014). 118(31) 17467–17482.
    • Quantum diffusion wave-function approach to two-dimensional vibronic spectroscopy Wehner, Johannes; Falge, Mirjam; Strunz, Walter T.; Engel, Volker in The Journal of Chemical Physics (2014). 141(13) 134306.
    2013[ to top ]
    • Two-dimensional vibronic spectroscopy of molecular predissociation Albert, Julian; Schubert, Alexander; Engel, Volker in New Journal of Physics (2013). 15(2) 025008.
    • On the parameterization of vibronic Hamiltonians for molecular aggregates using absorption line-shapes as an input Brüning, C.; Renziehausen, K.; Engel, V. in The Journal of Chemical Physics (2013). 139(5) 054303.
    • Carrier envelope phase effects induced by weak multicycle pulses: Localized quantum dynamics in double well potentials Hader, Kilian; Renziehausen, Klaus; Engel, Volker in Chemical Physics Letters (2013). 579 23–27.
    • H₂CN⁺ and H₂CNH⁺: New insight into the structure and dynamics from mass-selected threshold photoelectron spectra Holzmeier, Fabian; Lang, Melanie; Hader, Kilian; Hemberger, Patrick; Fischer, Ingo in The Journal of Chemical Physics (2013). 138(21) 214310.
    • Weak-Field, Multiple-Cycle Carrier Envelope Phase Effects in Laser Excitation Renziehausen, Klaus; Hader, Kilian; Jakubetz, Werner; Engel, Volker in ChemPhysChem (2013). 14(7) 1464–1470.
    • Ultrafast Exciton Self-Trapping upon Geometry Deformation in Perylene-Based Molecular Aggregates Schubert, Alexander; Settels, Volker; Liu, Wenlan; Würthner, Frank; Meier, Christoph; Fink, Reinhold F.; Schindlbeck, Stefan; Lochbrunner, Stefan; Engels, Bernd; Engel, Volker in The Journal of Physical Chemistry Letters (2013). 4(5) 792–796.
    • Manipulating the singlet--triplet transition in ion strings by nonresonant dynamic Stark effect Vindel-Zandbergen, Patricia; Falge, Mirjam; Chang, Bo Y.; Engel, Volker; Sola, Ignacio R. in Theoretical Chemistry Accounts (2013). 132(6) 1359.
    2012[ to top ]
    • Fingerprints of Adiabatic versus Diabatic Vibronic Dynamics in the Asymmetry of Photoelectron Momentum Distributions Falge, Mirjam; Engel, Volker; Gräfe, Stefanie in The Journal of Physical Chemistry Letters (2012). 3(18) 2617–2620.
    • Quantum Wave-Packet Dynamics in Spin-Coupled Vibronic States Falge, Mirjam; Engel, Volker; Lein, Manfred; Vindel-Zandbergen, Patricia; Chang, Bo Y.; Sola, Ignacio R. in The Journal of Physical Chemistry A (2012). 116(46) 11427–11433.
    • Fragment momentum distributions obtained from coupled electron-nuclear dynamics Hader, Kilian; Engel, Volker in The Journal of Chemical Physics (2012). 136(10) 104306.
    • Adiabaticity in the lateral electron-momentum distribution after strong-field ionization Henkel, Jost; Lein, Manfred; Engel, Volker; Dreissigacker, Ingo in Phys. Rev. A (2012). 85(2) 021402.
    • On the Divergence of Time-Dependent Perturbation Theory Applied to Laser-Induced Molecular Transitions: Analytical Calculations for the Simple Algorithm Renziehausen, Klaus in Journal of Physical Mathematics (2012). 4 1–12.
    • Vibronic energy localization in weakly coupled small molecular aggregates Wehner, Johannes; Schubert, Alexander; Engel, Volker in Chemical Physics Letters (2012). 541 49–53.
    2011[ to top ]
    • Foldamer with a spiral perylene bisimide staircase aggregate structure Dehm, Volker; Buchner, Michael; Seibt, Joachim; Engel, Volker; Wurthner, Frank in Chem. Sci. (2011). 2(11) 2094–2100.
    • Time-resolved photoelectron spectroscopy of coupled electron-nuclear motion Falge, Mirjam; Engel, Volker; Gräfe, Stefanie in The Journal of Chemical Physics (2011). 134(18) 184307.
    • Nuclear and electronic momentum distributions from pulse induced photodissociation Hader, Kilian; Engel, Volker in Chemical Physics Letters (2011). 509(4) 119–123.
    • Interference in above-threshold-ionization electron distributions from molecules Henkel, Jost; Lein, Manfred; Engel, Volker in Phys. Rev. A (2011). 83(5) 051401.
    • Interference Effects in Vibronic 2D-Spectra of Diatomic Molecules Schubert, Alexander; Engel, Volker in Zeitschrift f\"{u}r Physikalische Chemie (2011). 225(6-7) 703–714.
    • Two-dimensional vibronic spectroscopy of coherent wave-packet motion Schubert, Alexander; Engel, Volker in The Journal of Chemical Physics (2011). 134(10) 104304.
    2010[ to top ]
    • Vibrational-state and isotope dependence of high-order harmonic generation in water molecules Falge, Mirjam; Engel, Volker; Lein, Manfred in Phys. Rev. A (2010). 81(2) 023412.
    • Mapping of quantum phases by two-dimensional vibronic spectroscopy of wave-packet revivals Schubert, Alexander; Renziehausen, Klaus; Engel, Volker in Phys. Rev. A (2010). 82(1) 013419.
    • Dissipative Wave Packet Dynamics of Hydrophobic → Hydrophilic Site Switching in Phenol-Ar Clusters Walter, Ch.; Kritzer, R.; Schubert, A.; Meier, C.; Dopfer, O.; Engel, V. in The Journal of Physical Chemistry A (2010). 114(36) 9743–9748.
    2009[ to top ]
    • Local control of population transfer in molecules under fluctuating perturbations Kritzer, R.; Meier, C.; Engel, Volker in Chemical Physics Letters (2009). 477(1) 75–79.
    • On the divergence of time-dependent perturbation theory applied to laser-induced molecular transitions Renziehausen, Klaus; Marquetand, Philipp; Engel, Volker in Journal of Physics B: Atomic, Molecular and Optical Physics (2009). 42(19) 195402.
    • Vibronic Transitions and Quantum Dynamics in Molecular Oligomers: A Theoretical Analysis with an Application to Aggregates of Perylene Bisimides Seibt, J.; Winkler, T.; Renziehausen, K.; Dehm, V.; Würthner, F.; Meyer, H.-D.; Engel, V. in The Journal of Physical Chemistry A (2009). 113(48) 13475–13482.
    • Probing the geometry dependence of molecular dimers with two-dimensional-vibronic spectroscopy Seibt, Joachim; Renziehausen, Klaus; Voronine, Dmitri V.; Engel, Volker in The Journal of Chemical Physics (2009). 130(13) 134318.
    2008[ to top ]
    • On the inversion of geometric parameters from absorption and circular dichroism spectroscopy of molecular dimers Eisfeld, Alexander; Seibt, Joachim; Engel, Volker in Chemical Physics Letters (2008). 467(1) 186–190.
    • Exciton Trapping in π-Conjugated Materials: A Quantum-Chemistry-Based Protocol Applied to Perylene Bisimide Dye Aggregates Fink, Reinhold F.; Seibt, Joachim; Engel, Volker; Renz, Manuel; Kaupp, Martin; Lochbrunner, Stefan; Zhao, Hong-Mei; Pfister, Johannes; Würthner, Frank; Engels, Bernd in Journal of the American Chemical Society (2008). 130(39) 12858–12859.
    • Attosecond Photoelectron Spectroscopy of Electron Tunneling in a Dissociating Hydrogen Molecular Ion Gr\"afe, Stefanie; Engel, Volker; Ivanov, Misha Yu. in Phys. Rev. Lett. (2008). 101(10) 103001.
    • Analysis of laser fields for photoassociation and molecular stabilization derived from local control theory Marquetand, P; Engel, V in Journal of Physics B: Atomic, Molecular and Optical Physics (2008). 41(7) 074026.
    • Molecular dump processes induced by chirped laser pulses Marquetand, Philipp; Nuernberger, Patrick; Brixner, Tobias; Engel, Volker in The Journal of Chemical Physics (2008). 129(7) 074303.
    • Quantum Study of the Absorption Spectroscopy of Bis(triarylamine) Radical Cations Seibt, J.; Schaumlöffel, A.; Lambert, C.; Engel, V. in The Journal of Physical Chemistry A (2008). 112(41) 10178–10184.
    • Circular dichroism spectroscopy of small molecular aggregates: Dynamical features and size effects Seibt, Joachim; Dehm, Volker; Würthner, Frank; Engel, Volker in The Journal of Chemical Physics (2008). 128(20) 204303.
    • Absorption and emission spectroscopy of molecular trimers: Cyclic versus linear geometries Seibt, Joachim; Engel, Volker in Chemical Physics (2008). 347(1) 120–126.
    2007[ to top ]
    • Photoluminescence and Conductivity of Self-Assembled π–π Stacks of Perylene Bisimide Dyes Chen, Zhijian; Stepanenko, Vladimir; Dehm, Volker; Prins, Paulette; Siebbeles, Laurens D. A.; Seibt, Joachim; Marquetand, Philipp; Engel, Volker; Würthner, Frank in Chemistry – A European Journal (2007). 13(2) 436–449.
    • On the limitations of adiabatic population transfer between molecular electronic states induced by intense femtosecond laser pulses Gräfe, S.; Kiefer, W.; Engel, V. in The Journal of Chemical Physics (2007). 127(13) 134306.
    • Strong-field dressing of vibrational manifolds within ultrafast coherent Raman excitation Gräfe, Stefanie; Akimov, Denis A.; Böhm, Belinda; Zheltikov, Aleksei M.; Scully, Marlan O.; Kiefer, Wolfgang; Engel, Volker; Siebert, Torsten in Journal of Raman Spectroscopy (2007). 38(8) 998–1005.
    • Properties of wave packets deduced from quantum control fitness landscapes Marquetand, P.; Nuernberger, P.; Vogt, G.; Brixner, T.; Engel, V. in EPL (Europhysics Letters) (2007). 80(5) 53001.
    • Local control theory applied to molecular photoassociation Marquetand, Philipp; Engel, Volker in The Journal of Chemical Physics (2007). 127(8) 084115.
    • Absorption spectroscopy of molecular trimers Seibt, Joachim; Dehm, Volker; Würthner, Frank; Engel, Volker in The Journal of Chemical Physics (2007). 126(16) 164308.
    • Wave-packet dynamics in molecular dimers Seibt, Joachim; Engel, Volker in Chemical Physics (2007). 338(2) 143–149.
    • On the calculation of circular dichroism spectra using quantum wave-packet dynamics with an application to molecular dimers Seibt, Joachim; Engel, Volker in The Journal of Chemical Physics (2007). 126(7) 074110.
    • Circular dichroism and absorption spectroscopy of merocyanine dimer aggregates: molecular properties and exciton transfer dynamics from time-dependent quantum calculations Seibt, Joachim; Lohr, Andreas; Wurthner, Frank; Engel, Volker in Phys. Chem. Chem. Phys. (2007). 9(47) 6214–6218.
    2006[ to top ]
    • Local control theory applied to coupled electronic and nuclear motion Gräfe, Stefanie; Engel, Volker in Chemical Physics (2006). 329(1) 118–125.
    • Classical aspects emerging from local control of energy and particle transfer in molecules Gräfe, Stefanie; Marquetand, Philipp; Engel, Volker in Journal of Photochemistry and Photobiology A: Chemistry (2006). 180(3) 271–276.
    • Application of a reflection principle to spectroscopic transitions in molecular dimers Koller, Stephan; Seibt, Joachim; Marquetand, Philipp; Engel, Volker in Chemical Physics Letters (2006). 433(1) 199–203.
    • Complete local control of molecular excited state photo-fragmentation Marquetand, Philipp; Engel, Volker in Chemical Physics Letters (2006). 426(4) 263–267.
    • Local control of the quantum dynamics in multiple potential wells Marquetand, Philipp; Gräfe, Stefanie; Scheidel, Daniel; Engel, Volker in The Journal of Chemical Physics (2006). 124(5) 054325.
    • On the geometry dependence of molecular dimer spectra with an application to aggregates of perylene bisimide Seibt, J.; Marquetand, P.; Engel, Volker; Chen, Z.; Dehm, V.; Würthner, F. in Chemical Physics (2006). 328(1) 354–362.
    • Ground state vibrational wave-packet and recovery dynamics studied by time-resolved CARS and pump-CARS spectroscopy Siebert, T.; Schmitt, M.; Gräfe, S.; Engel, Volker in Journal of Raman Spectroscopy (2006). 37(1-3) 397–403.
    • The excited-state geometry of 1-hydroxy-2- acetonaphthone: a resonance Raman and quantum chemical study Szeghalmi, A. V.; Engel, V.; Zgierski, M. Z.; Popp, J.; Schmitt, M. in Journal of Raman Spectroscopy (2006). 37(1-3) 148–160.
    2005[ to top ]
    • Vibronic energies and spectra of molecular dimers Eisfeld, A.; Braun, L.; Strunz, W. T.; Briggs, J. S.; Beck, J.; Engel, V. in The Journal of Chemical Physics (2005). 122(13) 134103.
    • Population transfer in the multiphoton excitation of molecules Gr\"afe, S.; Erdmann, M.; Engel, V. in Phys. Rev. A (2005). 72(1) 013404.
    • Instantaneous dynamics and quantum control fields: Principle and numerical applications Gräfe, S.; Meier, C.; Engel, V. in The Journal of Chemical Physics (2005). 122(18) 184103.
    • On the control of resonant versus non-resonant electronic transitions in molecular photodissociation Gräfe, Stefanie; Engel, Volker in Chemical Physics Letters (2005). 414(1) 17–22.
    • Isotope effects in the photofragmentation of symmetric molecules: The branching ratio of {OD}∕{OH} in water Henriksen, Niels E.; M{\o}ller, Klaus B.; Engel, Volker in The Journal of Chemical Physics (2005). 122(20) 204320.
    • Femtosecond pulse induced predissociation dynamics in static electric fields Marquetand, P.; Engel, V. in Phys. Chem. Chem. Phys. (2005). 7(3) 469–474.
    • Predissociation and dissociation dynamics in quantum control fields Marquetand, Philipp; Engel, Volker in Chemical Physics Letters (2005). 407(4) 471–476.
    • Local control of molecular fragmentation: The role of orientation Marquetand, Philipp; Meier, Christoph; Engel, Volker in The Journal of Chemical Physics (2005). 123(20) 204320.
    • FEMTOSECOND LASER PHOTOELECTRON SPECTROSCOPY ON ATOMS AND SMALL MOLECULES: Prototype Studies in Quantum Control Wollenhaupt, M.; Engel, V.; Baumert, T. in Annual Review of Physical Chemistry (2005). 56(1) 25–56.
    2004[ to top ]
    • Infrared spectrum and predissociation dynamics of H₂O⁺-Ar Dopfer, O.; Engel, V. in The Journal of Chemical Physics (2004). 121(24) 12345.
    • Electronic predissociation: a model study Erdmann, M.; Baumann, S.; Gr{\"a}fe, S.; Engel, V. in The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics (2004). 30(3) 327–333.
    • Combined electronic and nuclear dynamics in a simple model system. {II}. Spectroscopic transitions Erdmann, M.; Engel, V. in The Journal of Chemical Physics (2004). 120(1) 158–164.
    • Time-dependent electron localization functions for coupled nuclear-electronic motion Erdmann, M.; Gross, E. K. U.; Engel, V. in The Journal of Chemical Physics (2004). 121(19) 9666–9670.
    • Indirect versus direct photoionization with ultrashort pulses: interferences and time-resolved bond-length changes Gräfe, S.; Engel, V. in Chemical Physics Letters (2004). 385(1) 60–65.
    • Approaches to Wave Packet Imaging Using Femtosecond Ionization Spectroscopy Gräfe, S.; Scheidel, D.; Engel, V.; Henriksen, N. E.; Møller, K. B. in The Journal of Physical Chemistry A (2004). 108(41) 8954–8960.
    • Quantum control fields from instantaneous dynamics Gräfe, Stefanie; Marquetand, Philipp; Engel, Volker; Henriksen, Niels E.; Møller, Klaus B. in Chemical Physics Letters (2004). 398(1) 180–185.
    • Fractional revivals in the rovibrational motion of I₂ Lohmüller, T.; Engel, V.; Beswick, J. A.; Meier, C. in The Journal of Chemical Physics (2004). 120(22) 10442–10449.
    • Molecular orientation via a dynamically induced pulse-train: Wave packet dynamics of {NaI} in a static electric field Marquetand, P.; Materny, A.; Henriksen, N. E.; Engel, V. in The Journal of Chemical Physics (2004). 120(13) 5871–5874.
    • How Delocalized Is N,N,N‘,N‘-Tetraphenylphenylenediamine Radical Cation? An Experimental and Theoretical Study on the Electronic and Molecular Structure Szeghalmi, Adriana V.; Erdmann, Marco; Engel, Volker; Schmitt, Michael; Amthor, Stephan; Kriegisch, Volker; Nöll, Gilbert; Stahl, Rainer; Lambert, Christoph; Leusser, Dirk; Stalke, Dietmar; Zabel, Manfred; Popp, Jürgen in Journal of the American Chemical Society (2004). 126(25) 7834–7845.
    2003[ to top ]
    • Combined electronic and nuclear dynamics in a simple model system Erdmann, M.; Marquetand, P.; Engel, V. in The Journal of Chemical Physics (2003). 119(2) 672–679.
    • 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 Flachenecker, G.; Ermoshin, V. A.; Engel, V.; Neder, R.; Wirnsberger, G.; Materny, A. in Phys. Chem. Chem. Phys. (2003). 5(5) 865–876.
    • Chirped pulse ionization: bondlength dynamics and interference effects Lohmüller, T.; Erdmann, M.; Engel, V. in Chemical Physics Letters (2003). 373(3) 319–327.
    • Probing the Kinetics of a Nonadiabatic Transition Initiating Out of Vibrationally Excited as Well as Ground State Modes with Femtosecond Time-Resolved Transient Gratings Siebert, T.; Engel, V.; Materny, A.; Kiefer, W.; Schmitt, M. in The Journal of Physical Chemistry A (2003). 107(40) 8355–8362.
    • The mechanism of light storage in spherical microcavities explored on a femtosecond time scale Siebert, T.; Sbanski, O.; Schmitt, M.; Engel, V.; Kiefer, W.; Popp, J. in Optics Communications (2003). 216(4) 321–327.
    • Determination of transition dipole moments from time–resolved photoelectron spectroscopy {Lohmüller, T.}; {Erdmann, M.}; {Rubner, O.}; {Engel, V.} in Eur. Phys. J. D (2003). 25(1) 95–99.
    2002[ to top ]
    • Applications of the Karhunen-Lo{\`{e}}ve Decomposition to Quantum Dynamical Problems Dietz, H.; Marek, M.; M\"{u}nster, A.F.; Engel, V. in Zeitschrift f\"{u}r Physikalische Chemie (2002). 216(3/2002)
    • Time-resolved photoelectron spectroscopy: Erdmann, M; Rubner, O; Shen, Z; Engel, V in Journal of Organometallic Chemistry (2002). 661(1) 191–197.
    • Femtosecond time-resolved photoelectron spectroscopy with high frequency probe pulses Erdmann, M; Shen, Z; Engel, V in Chemical Physics Letters (2002). 351(3) 275–280.
    • Fermi–Pasta–Ulam recurrences, normal modes and wave-packet revivals Ermoshin, V.A.; Erdmann, M.; Engel, V. in Chemical Physics Letters (2002). 356(1) 29–35.
    • Cationic molecular wave packets: "Settin’ the pace" Gräfe S.; Erdmann, M.; Engel, V. in The Journal of Chemical Physics (2002). 116(12) 4762.
    • The Effect of the Electron-Electron Interaction in Above-Threshold Double Ionization Lein, Manfred; Gross, E.K.U.; Engel, Volker in Laser Physics (2002). 12(2) 487–490.
    • Strong-field ionization dynamics of a model H₂ molecule Lein, Manfred; Kreibich, Thomas; Gross, E. K. U.; Engel, Volker in Physical Review A (2002). 65(3)
    • Time-resolved photoelectron spectroscopy of molecular dissociation: Classical trajectory versus quantum wave-packet calculations Meier, Christoph; Engel, Volker in Phys. Chem. Chem. Phys. (2002). 4(20) 5014–5019.
    • Target wave-packet control and its detection using time-resolved photoelectron spectroscopy Shen, Z.; Engel, V. in Chemical Physics Letters (2002). 358(3) 344–349.
    • Optimal pump{\textendash}dump control and time-frequency resolved spectroscopy of ground-state wave-packet focusing Shen, Zhenwen; Engel, Volker; Xu, Ruixue; Cheng, Jixin; Yan, YiJing in The Journal of Chemical Physics (2002). 117(13) 6142–6147.
    • 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 Siebert, T.; Maksimenka, R.; Materny, A.; Engel, V.; Kiefer, W.; Schmitt, M. in Journal of Raman Spectroscopy (2002). 33(11-12) 844–854.
    • Population Dynamics in Vibrational Modes during Non-Born−Oppenheimer Processes:  CARS Spectroscopy Used as a Mode-Selective Filter Siebert, Torsten; Schmitt, Michael; Engel, Volker; Materny, Arnulf; Kiefer, Wolfgang in Journal of the American Chemical Society (2002). 124(22) 6242–6243.
    2000[ to top ]
    • Hybrid quantum/classical study of {ICN} in an Ar matrix: Photofragmentation and cage exit Alberti, S. Fernandez; Echave, J.; Engel, V.; Halberstadt, N.; Beswick, J. A. in The Journal of Chemical Physics (2000). 113(3) 1027–1034.
    • Mapping of wave packets in direct fragmentation via pump{\textendash}probe frequency integrated fluorescence spectroscopy Engel, V.; Henriksen, N. E. in The Journal of Chemical Physics (2000). 112(1) 106–111.
    • Oscillatory pump{\textendash}probe signals from delocalized wave packets Ermoshin, V. A.; Engel, V.; Meier, C. in The Journal of Chemical Physics (2000). 113(14) 5770–5775.
    • Collision-induced bound state motion in I₂. A classical molecular dynamics study Ermoshin, V. A.; Engel, V.; Meier, C. in The Journal of Chemical Physics (2000). 113(16) 6585–6591.
    • Stochastic trajectory simulation of femtosecond pump{\textendash}probe spectroscopy Ermoshin, V.A.; Engel, V. in Chemical Physics Letters (2000). 332(1-2) 110–116.
    • Molecular Dynamics Simulation of Femtosecond Pump-Probe Experiments on I₂ in Ar Environments Ermoshin, V.A.; Engel, V. in Zeitschrift f\"{u}r Physikalische Chemie (2000). 214(9)
    • Phase-energy approach to collision-induced vibrational relaxation Kazansky, A. K.; Ermoshin, V. A.; Engel, V. in The Journal of Chemical Physics (2000). 113(20) 8865–8868.
    • On the mechanism of strong-field double photoionization in the helium atom Lein, M; Gross, E K U; Engel, V in Journal of Physics B: Atomic, Molecular and Optical Physics (2000). 33(3) 433.
    • Characterization of nuclear wave packets describing molecular photodissociation Lein, M.; Erdmann, M.; Engel, V. in The Journal of Chemical Physics (2000). 113(9) 3609–3614.
    • Intense-Field Double Ionization of Helium: Identifying the Mechanism Lein, M.; Gross, E. K. U.; Engel, V. in Phys. Rev. Lett. (2000). 85(22) 4707–4710.
    • Wave packet dynamics in different electronic states investigated by femtosecond time-resolved four-wave-mixing spectroscopy Materny, A.; Chen, T.; Schmitt, M.; Siebert, T.; Vierheilig, A.; Engel, V.; Kiefer, W. in Applied Physics B (2000). 71(3) 299–317.
    • Femtosecond time-resolved CARS and DFWM spectroscopy on gas-phase I₂: a wave-packet description Meyer, S.; Engel, V. in Journal of Raman Spectroscopy (2000). 31(1-2) 33–39.
    • Non-perturbative wave-packet calculations of time-resolved four-wave-mixing signals Meyer, S.; Engel, V. in Applied Physics B (2000). 71(3) 293–297.
    • Theoretical analysis of femtosecond excitation and fragmentation dynamics of Fe({CO})₅ Rubner, O.; Baumert, T.; Bergt, M.; Kiefer, B.; Gerber, G.; Engel, V. in Chemical Physics Letters (2000). 316(5-6) 585–592.
    • Separation of vibrational and rotational coherences with polarized femtosecond time-resolved four-wave mixing spectroscopy Siebert, T.; Schmitt, M.; Vierheilig, A.; Flachenecker, G.; Engel, V.; Materny, A.; Kiefer, W. in Journal of Raman Spectroscopy (2000). 31(1-2) 25–31.
    • Pulse-width and isotope effects in femtosecond-pulse strong-field dissociation of H₂⁺ and D₂⁺ Trump, C.; Rottke, H.; Wittmann, M.; Korn, G.; Sandner, W.; Lein, M.; Engel, V. in Phys. Rev. A (2000). 62(6) 063402.
    1999[ to top ]
    • Ultrafast detection and control of molecular dynamics Anfinrud, P.; de Vivie-Riedle, R.; Engel, V. in Proceedings of the National Academy of Sciences (1999). 96(15) 8328–8329.
    • Determination of wave packet dynamics by femtosecond time-resolved pump-dump-probe and four-wave mixing techniques Chen, T.; Engel, V.; Heid, M.; Kiefer, W.; Knopp, G.; Materny, A.; Meyer, S.; Pausch, R.; Schmitt, M.; Schwoerer, H.; Siebert, T. in Journal of Molecular Structure (1999). 480-481 33–43.
    • Single and multiple collision effects observed in the femtosecond spectroscopy of I₂-rare gas collision complexes: a statistical description Dietz, H.; Engel, V. in The Journal of Chemical Physics (1999). 110(7) 3335–3340.
    • Classical simulations on the pump–probe spectroscopy of I₂ encapsulated in DDR porosil Ermoshin, V A.; Flachenecker, G; Materny, A; Engel, V in Chemical Physics Letters (1999). 311(3-4) 146–152.
    • Construction of a Potential Energy Surface for Molecular Dynamics Studies of Methane Adsorbed in Zeolites Ermoshin, V. A.; Engel, V. in The Journal of Physical Chemistry A (1999). 103(26) 5116–5122.
    • Quantum-classical molecular dynamics simulation of femtosecond spectroscopy on I₂ in inert gases: Mechanisms for the decay of pump{\textendash}probe signals Ermoshin, V. A.; Kazansky, A. K.; Engel, V. in The Journal of Chemical Physics (1999). 111(17) 7807–7817.
    • A novel mixed quantum/classical method for the dynamics of molecules in a gas environment with an application to femtosecond time-resolved spectroscopy Ermoshin, V.A.; Kazansky, A.K.; Engel, V. in Chemical Physics Letters (1999). 302(1-2) 20–26.
    • On the deconvolution of the temporal width of laser pulses from pump{\textendash}probe signals Henriksen, Niels E.; Engel, Volker in The Journal of Chemical Physics (1999). 111(23) 10469–10475.
    • Structures in molecular photofragment and photoelectron distributions from two-photon non-resonant excitation Herwig, A.; Braun, M.; Engel, V. in Chemical Physics Letters (1999). 300(3-4) 269–274.
    • Simulation of femtosecond time-resolved four-wave mixing experiments on I₂ Meyer, S.; Schmitt, M.; Materny, A.; Kiefer, W.; Engel, V. in Chemical Physics Letters (1999). 301(3-4) 248–254.
    • A CASSCF/MR-CCI study of the excited states of Fe(CO)₅ Rubner, O; Engel, V; Hachey, M.R; Daniel, C in Chemical Physics Letters (1999). 302(5-6) 489–494.
    1998[ to top ]
    • Excitation of symmetric and anti-symmetric stretching motion in the continuum resonance Raman scattering from {ABA}-type molecules Braun, M; Materny, A; Schmitt, M; Kiefer, W; Engel, V in Chemical Physics Letters (1998). 284(1-2) 39–46.
    • Molecular femtosecond excitation described within the Gaussian wave packet approximation Braun, M.; Metiu, H.; Engel, V. in The Journal of Chemical Physics (1998). 108(21) 8983–8988.
    • Geminate recombination processes induced by rare gas collisions with predissociating NaI molecules prepared by femtosecond excitation Dietz, H.; Engel, V. in Theoretical Chemistry Accounts (1998). 100(1) 199–203.
    • Pump/Probe Spectroscopy of NaI in Rare Gas Environments:  A Statistical Description Dietz, H.; Engel, V. in The Journal of Physical Chemistry A (1998). 102(38) 7406–7413.
    • Single-collision caging of dissociating I₂: wave packet calculations and simulation of femtosecond spectra Meier, C; Engel, V; Beswick, J.A in Chemical Physics Letters (1998). 287(5-6) 487–495.
    • An effective method for the quantum mechanical description of photoionization with ultrashort intense laser pulses Meier, Christoph; Engel, Volker; Manthe, Uwe in The Journal of Chemical Physics (1998). 109(1) 36–41.
    • Photoelectron distributions from femtosecond pump/probe excitation with chirped probe pulses Meyer, S.; Meier, C.; Engel, V. in The Journal of Chemical Physics (1998). 108(18) 7631–7636.
    • Fragmentation dynamics of Fe(CO)₅ upon femtosecond excitation: a time-dependent statistical description Rubner, O; Engel, V in Chemical Physics Letters (1998). 293(5) 485–490.
    • Femtosecond Time-Resolved CARS Spectroscopy on Binary Gas-Phase Mixtures:  A Theoretical and Experimental Study of the Benzene/Toluene System Rubner, O.; Schmitt, M.; Knopp, G.; Materny, A.; Kiefer, W.; Engel, V. in The Journal of Physical Chemistry A (1998). 102(48) 9734–9738.
    1997[ to top ]
    • Pump/probe direct photoionization from thermally hot samples: the Cs₂ molecule Braun, M.; Engel, V. in Zeitschrift f{\"u}r Physik D Atoms, Molecules and Clusters (1997). 39(4) 301–307.
    • The perturbation of coherent wave-packet dynamics by atom/molecule collisions: the NaI + Ar system Dietz, H.; Knopp, G.; Materny, A.; Engel, V. in Chemical Physics Letters (1997). 275(5-6) 519–526.
    • Stimulated emission processes and strong field effects in ultrashort pulse excitation of a predissociative molecule Dietz, H.; Materny, A.; Engel, V. in Chemical Physics (1997). 217(2-3) 249–257.
    • Inversion of Potential Energy Curves from Continuum Resonance Raman Scattering Data with the Help of a Reflection Principle Eichelsdörfer, M.; Engel, V. in Journal of Raman Spectroscopy (1997). 28(6) 427–431.
    • Semiclassical photodissociation cross section for H₂O Hüpper, Bruno; Eckhardt, Bruno; Engel, Volker in Journal of Physics B: Atomic, Molecular and Optical Physics (1997). 30(14) 3191.
    • Vibrational dynamics and energy flow in a multi-mode organometallic compound Markert, T.; Malisch, W.; Engel, V. in Chemical Physics Letters (1997). 270(1-2) 222–228.
    • A theoretical analysis of the time-resolved femtosecond CARS spectrum of I₂ Meyer, S; Schmitt, M; Materny, A; Kiefer, W; Engel, V in Chemical Physics Letters (1997). 281(4-6) 332–336.
    • Vibrational Revivals and the Control of Photochemical Reactions Meyer, S.; Engel, V. in The Journal of Physical Chemistry A (1997). 101(42) 7749–7753.
    • The calculation of time-resolved negative-ion-to-neutral-to-positive-ion-spectra with an application to iron-carbonyl Rubner, O.; Meier, C.; Engel, V. in The Journal of Chemical Physics (1997). 107(4) 1066–1072.
    • Femtosecond time-resolved two-photon ionization spectroscopy of K₂ Schwoerer, H.; Pausch, R.; Heid, M.; Engel, V.; Kiefer, W. in The Journal of Chemical Physics (1997). 107(23) 9749–9754.
    1996[ to top ]
    • Addendum to: Nanosecond wave-packet propagation with the split-operator technique [Comput. Phys. Commun. 93 (1996) 152] Dietz, H.; Braun, M.; Meier, C.; Engel, V. in Computer Physics Communications (1996). 98(1-2) 265.
    • Wave-packet interference and stabilization of a predissociating molecule Dietz, H.; Engel, V. in Chemical Physics Letters (1996). 255(4-6) 258–262.
    • Short-time wave-packet dynamics and the reflection principle of continuum resonance Raman scattering Eichelsd\"{o}rfer, M.; Engel, V. in Chemical Physics Letters (1996). 263(5) 640–644.