Publications
Publications of the research group of Prof. Volker Engel
- [ 2023 ]
- [ 2022 ]
- [ 2021 ]
- [ 2020 ]
- [ 2019 ]
- [ 2018 ]
- [ 2017 ]
- [ 2016 ]
- [ 2015 ]
- [ 2014 ]
- [ 2013 ]
- [ 2012 ]
- [ 2011 ]
- [ 2010 ]
- [ 2009 ]
- [ 2008 ]
- [ 2007 ]
- [ 2006 ]
- [ 2005 ]
- [ 2004 ]
- [ 2003 ]
- [ 2002 ]
- [ 2000 ]
- [ 1999 ]
- [ 1998 ]
- [ 1997 ]
- [ 1996 ]
2023[ to top ]
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Differential Shannon Entropies Characterizing Electron-Nuclear Dynamics and Correlation: Momentum-Space Versus Coordinate-Space Wave Packet Motion in Entropy (2023). 25(7) 970.
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Information Theoretical Approach to Coupled Electron-Nuclear Wave Packet Dynamics: Time-Dependent Differential Shannon Entropies in The Journal of Physical Chemistry Letters (2023). 334–339.
2022[ to top ]
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Third-order pump-probe spectroscopy applied to molecular dimers: Characterization of relaxation dynamics and exciton--exciton annihilation in Phys. Chem. Chem. Phys. (2022). -.
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Excitation localization in a trimeric perylenediimide macrocycle: Synthesis, theory, and single molecule spectroscopy in The Journal of Chemical Physics (2022). 156(4) 044304.
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Quantum flux densities for electronic-nuclear motion: exact versus Born-Oppenheimer dynamics in Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences (2022). 380(2223) 25316–25326.
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Correlated three-dimensional electron-nuclear motion: Adiabatic dynamics vs passage of conical intersections in The Journal of Chemical Physics (2022). 156(7) 074302.
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Time-Dependent Expectation Values from Integral Equations for Quantum Flux and Probability Densities in The Journal of Physical Chemistry A (2022).
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Wave packet dynamics in an harmonic potential disturbed by disorder: Entropy, uncertainty, and vibrational revivals in The Journal of Chemical Physics (2022). 156(5) 054303.
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Nuclear-Electron Correlation Effects and Their Photoelectron Imprint in Molecular XUV Ionisation in Frontiers in Chemistry (2022). 10
2021[ to top ]
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Optically Induced Charge Transfer in Organic Mixed-Valence Systems: Wave Packet Dynamics and Femtosecond Transient Spectroscopy in The Journal of Physical Chemistry A (2021). 125(19) 4114–4125.
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Time-dependent momentum expectation values from different quantum probability and flux densities in The Journal of Chemical Physics (2021). 154(6) 064307.
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Twisting versus Delocalization in CAAC- and NHC-Stabilized Boron-Based Biradicals: The Roles of Sterics and Electronics in Chemistry – A European Journal (2021). 27(16) 5160–5170.
2020[ to top ]
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Naphthoquinones as Covalent Reversible Inhibitors of Cysteine Proteases{\textemdash}Studies on Inhibition Mechanism and Kinetics in Molecules (2020). 25(9) 2064.
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cAAC-Stabilized 9,10-diboraanthracenes—Acenes with Open-Shell Singlet Biradical Ground States in Angewandte Chemie International Edition (2020). 59(43) 19338–19343.
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Born–Oppenheimer and non-Born–Oppenheimer contributions to time-dependent electron momenta in J. Chem. Phys. (2020). 152(20) 204310.
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Exciton–exciton annihilation in a molecular trimer: Wave packet dynamics and 2D spectroscopy in J. Chem. Phys. (2020). 153(16) 164310.
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A wave packet picture of exciton–exciton annihilation: Molecular dimer dynamics in J. Chem. Phys. (2020). 152(17) 174305.
2019[ to top ]
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Optically Induced Electron Transfer in Mixed-Valence States: A Model Study on Electronic Transitions, Relaxation Dynamics, and Transient Absorption Spectroscopy in J. Phys. Chem. A (2019). 123 5463–5471.
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Lewis-Base Stabilization of the Parent Al(I) Hydride under Ambient Conditions in Journal of the American Chemical Society (2019). 141(42) 16954–16960.
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A classical ride through a conical intersection in J. Chem. Phys. (2019). 150(3) 034301.
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On the calculation of time-dependent electron momenta within the Born-Oppenheimer approximation in J. Chem. Phys. (2019). 150(16) 164110.
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Electronic and nuclear flux dynamics at a conical intersection in J. Chem. Phys. (2019). 151(8) 084309.
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Mapping of exciton–exciton annihilation in a molecular dimer via fifth-order femtosecond two-dimensional spectroscopy in J. Chem. Phys. (2019). 150(10) 104304.
2018[ to top ]
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Time-dependent electron momenta from Born-Oppenheimer calculations in The European Physical Journal B (2018). 91(6) 97.
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Stochastically correlated versus uncorrelated quantum-state diffusion dynamics in different electronic states: third-order polarizations and two-dimensional vibronic spectra in Chemical Physics (2018). 515 102–107.
2017[ to top ]
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Communication: On the calculation of time-dependent electron flux within the Born-Oppenheimer approximation: A flux-flux reflection principle in The Journal of Chemical Physics (2017). 147(24) 241101.
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Coupled electron-nuclear quantum dynamics through and around a conical intersection in The Journal of Chemical Physics (2017). 147(6) 064302.
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The electronic character of PTCDA thin films in comparison to other perylene-based organic semi-conductors: ab initio-{,} TD-DFT and semi-empirical computations of the opto-electronic properties of large aggregates in Phys. Chem. Chem. Phys. (2017). 19(3) 2434–2448.
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On the time-dependent calculation of angular averaged vibronic absorption spectra with an application to molecular aggregates in Chemical Physics (2017). 482 64–68.
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Geometrical Optimization Approach to Isomerization: Models and Limitations in The Journal of Physical Chemistry A (2017). 121(43) 8280–8287.
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The dimer-approach to characterize opto-electronic properties of and exciton trapping and diffusion in organic semiconductor aggregates and crystals in Phys. Chem. Chem. Phys. (2017). 19(20) 12604–12619.
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Time-resolved photoelectron spectroscopy of IR-driven electron dynamics in a charge transfer model system in Phys. Chem. Chem. Phys. (2017). 19(30) 19683–19690.
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Electron-nuclear wave-packet dynamics through a conical intersection in The Journal of Chemical Physics (2017). 146(7) 074304.
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Mapping of exciton-exciton annihilation in MEH-PPV by time-resolved spectroscopy: experiment and microscopic theory in Phys. Chem. Chem. Phys. (2017). 19(47) 31989–31996.
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Correlated electron-nuclear dissociation dynamics: classical versus quantum motion in The European Physical Journal D (2017). 71(4) 91.
2016[ to top ]
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Femtosecond time-resolved four-wave mixing spectroscopy of coupled electron-nuclear motion in Asian Journal of Physics (2016). 25(2) 189–197.
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Communication: Adiabatic and non-adiabatic electron-nuclear motion: Quantum and classical dynamics in The Journal of Chemical Physics (2016). 144(17) 171103.
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Exciton-Vibrational Couplings in Homo- and Heterodimer Stacks of Perylene Bisimide Dyes within Cyclophanes: Studies on Absorption Properties and Theoretical Analysis in Chemistry – A European Journal (2016). 22(42) 15011–15018.
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Exciton dynamics in perturbed vibronic molecular aggregates in Structural Dynamics (2016). 3(4) 043201.
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Identification of effective exciton-exciton annihilation in squaraine-squaraine copolymers in Phys. Chem. Chem. Phys. (2016). 18(19) 13368–13374.
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Two-dimensional femtosecond optical spectroscopy of trapping dynamics in a charge-transfer process in Chemical Physics Letters (2016). 650 41–46.
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Two-dimensional vibronic spectroscopy of molecular aggregates: Trimers, dimers, and monomers in The Journal of Chemical Physics (2016). 145(8) 084305.
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How fast is optically induced electron transfer in organic mixed valence systems? in Phys. Chem. Chem. Phys. (2016). 18(28) 19405–19411.
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Two-dimensional optical spectroscopy of homo- and heterodimers in Phys. Chem. Chem. Phys. (2016). 18(48) 32910–32920.
2015[ to top ]
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Communication: Vibrational and vibronic coherences in the two dimensional spectroscopy of coupled electron-nuclear motion in The Journal of Chemical Physics (2015). 143(4) 041102.
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Extended quantum jump description of vibronic two-dimensional spectroscopy in The Journal of Chemical Physics (2015). 142(21) 212440.
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Macrocyclic cis-Indolenine Squaraine Dyes as Efficient Near Infrared Emitters in The Journal of Physical Chemistry C (2015). 119(11) 6174–6180.
2014[ to top ]
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The time-scale of nonlinear events driven by strong fields: can one control the spin coupling before ionization runs over? in Journal of Physics B: Atomic, Molecular and Optical Physics (2014). 47(12) 124027.
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Coherent and incoherent contributions to the carrier-envelope phase control of wave packet localization in quantum double wells in The Journal of Chemical Physics (2014). 140(18) 184316.
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Multiple time scale population transfer-dynamics in coupled electronic states in Chemical Physics (2014). 442 26–30.
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Theoretical Analysis of the Relaxation Dynamics in Perylene Bisimide Dimers Excited by Femtosecond Laser Pulses in The Journal of Physical Chemistry A (2014). 118(8) 1403–1412.
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Identification of Ultrafast Relaxation Processes As a Major Reason for Inefficient Exciton Diffusion in Perylene-Based Organic Semiconductors in Journal of the American Chemical Society (2014). 136(26) 9327–9337.
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Singlet–Singlet Exciton Annihilation in an Exciton-Coupled Squaraine-Squaraine Copolymer: A Model toward Hetero-J-Aggregates in The Journal of Physical Chemistry C (2014). 118(31) 17467–17482.
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Quantum diffusion wave-function approach to two-dimensional vibronic spectroscopy in The Journal of Chemical Physics (2014). 141(13) 134306.
2013[ to top ]
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Two-dimensional vibronic spectroscopy of molecular predissociation in New Journal of Physics (2013). 15(2) 025008.
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On the parameterization of vibronic Hamiltonians for molecular aggregates using absorption line-shapes as an input in The Journal of Chemical Physics (2013). 139(5) 054303.
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Carrier envelope phase effects induced by weak multicycle pulses: Localized quantum dynamics in double well potentials in Chemical Physics Letters (2013). 579 23–27.
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H₂CN⁺ and H₂CNH⁺: New insight into the structure and dynamics from mass-selected threshold photoelectron spectra in The Journal of Chemical Physics (2013). 138(21) 214310.
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Weak-Field, Multiple-Cycle Carrier Envelope Phase Effects in Laser Excitation in ChemPhysChem (2013). 14(7) 1464–1470.
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Ultrafast Exciton Self-Trapping upon Geometry Deformation in Perylene-Based Molecular Aggregates in The Journal of Physical Chemistry Letters (2013). 4(5) 792–796.
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Manipulating the singlet--triplet transition in ion strings by nonresonant dynamic Stark effect in Theoretical Chemistry Accounts (2013). 132(6) 1359.
2012[ to top ]
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Fingerprints of Adiabatic versus Diabatic Vibronic Dynamics in the Asymmetry of Photoelectron Momentum Distributions in The Journal of Physical Chemistry Letters (2012). 3(18) 2617–2620.
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Quantum Wave-Packet Dynamics in Spin-Coupled Vibronic States in The Journal of Physical Chemistry A (2012). 116(46) 11427–11433.
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Fragment momentum distributions obtained from coupled electron-nuclear dynamics in The Journal of Chemical Physics (2012). 136(10) 104306.
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Adiabaticity in the lateral electron-momentum distribution after strong-field ionization in Phys. Rev. A (2012). 85(2) 021402.
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On the Divergence of Time-Dependent Perturbation Theory Applied to Laser-Induced Molecular Transitions: Analytical Calculations for the Simple Algorithm in Journal of Physical Mathematics (2012). 4 1–12.
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Vibronic energy localization in weakly coupled small molecular aggregates in Chemical Physics Letters (2012). 541 49–53.
2011[ to top ]
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Foldamer with a spiral perylene bisimide staircase aggregate structure in Chem. Sci. (2011). 2(11) 2094–2100.
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Time-resolved photoelectron spectroscopy of coupled electron-nuclear motion in The Journal of Chemical Physics (2011). 134(18) 184307.
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Nuclear and electronic momentum distributions from pulse induced photodissociation in Chemical Physics Letters (2011). 509(4) 119–123.
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Interference in above-threshold-ionization electron distributions from molecules in Phys. Rev. A (2011). 83(5) 051401.
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Interference Effects in Vibronic 2D-Spectra of Diatomic Molecules in Zeitschrift f\"{u}r Physikalische Chemie (2011). 225(6-7) 703–714.
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Two-dimensional vibronic spectroscopy of coherent wave-packet motion in The Journal of Chemical Physics (2011). 134(10) 104304.
2010[ to top ]
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Vibrational-state and isotope dependence of high-order harmonic generation in water molecules in Phys. Rev. A (2010). 81(2) 023412.
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Mapping of quantum phases by two-dimensional vibronic spectroscopy of wave-packet revivals in Phys. Rev. A (2010). 82(1) 013419.
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Dissipative Wave Packet Dynamics of Hydrophobic → Hydrophilic Site Switching in Phenol-Ar Clusters in The Journal of Physical Chemistry A (2010). 114(36) 9743–9748.
2009[ to top ]
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Local control of population transfer in molecules under fluctuating perturbations in Chemical Physics Letters (2009). 477(1) 75–79.
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On the divergence of time-dependent perturbation theory applied to laser-induced molecular transitions in Journal of Physics B: Atomic, Molecular and Optical Physics (2009). 42(19) 195402.
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Vibronic Transitions and Quantum Dynamics in Molecular Oligomers: A Theoretical Analysis with an Application to Aggregates of Perylene Bisimides in The Journal of Physical Chemistry A (2009). 113(48) 13475–13482.
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Probing the geometry dependence of molecular dimers with two-dimensional-vibronic spectroscopy in The Journal of Chemical Physics (2009). 130(13) 134318.
2008[ to top ]
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On the inversion of geometric parameters from absorption and circular dichroism spectroscopy of molecular dimers in Chemical Physics Letters (2008). 467(1) 186–190.
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Exciton Trapping in π-Conjugated Materials: A Quantum-Chemistry-Based Protocol Applied to Perylene Bisimide Dye Aggregates in Journal of the American Chemical Society (2008). 130(39) 12858–12859.
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Attosecond Photoelectron Spectroscopy of Electron Tunneling in a Dissociating Hydrogen Molecular Ion in Phys. Rev. Lett. (2008). 101(10) 103001.
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Analysis of laser fields for photoassociation and molecular stabilization derived from local control theory in Journal of Physics B: Atomic, Molecular and Optical Physics (2008). 41(7) 074026.
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Molecular dump processes induced by chirped laser pulses in The Journal of Chemical Physics (2008). 129(7) 074303.
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Quantum Study of the Absorption Spectroscopy of Bis(triarylamine) Radical Cations in The Journal of Physical Chemistry A (2008). 112(41) 10178–10184.
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Circular dichroism spectroscopy of small molecular aggregates: Dynamical features and size effects in The Journal of Chemical Physics (2008). 128(20) 204303.
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Absorption and emission spectroscopy of molecular trimers: Cyclic versus linear geometries in Chemical Physics (2008). 347(1) 120–126.
2007[ to top ]
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Photoluminescence and Conductivity of Self-Assembled π–π Stacks of Perylene Bisimide Dyes in Chemistry – A European Journal (2007). 13(2) 436–449.
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On the limitations of adiabatic population transfer between molecular electronic states induced by intense femtosecond laser pulses in The Journal of Chemical Physics (2007). 127(13) 134306.
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Strong-field dressing of vibrational manifolds within ultrafast coherent Raman excitation in Journal of Raman Spectroscopy (2007). 38(8) 998–1005.
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Properties of wave packets deduced from quantum control fitness landscapes in EPL (Europhysics Letters) (2007). 80(5) 53001.
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Local control theory applied to molecular photoassociation in The Journal of Chemical Physics (2007). 127(8) 084115.
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Absorption spectroscopy of molecular trimers in The Journal of Chemical Physics (2007). 126(16) 164308.
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Wave-packet dynamics in molecular dimers in Chemical Physics (2007). 338(2) 143–149.
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On the calculation of circular dichroism spectra using quantum wave-packet dynamics with an application to molecular dimers in The Journal of Chemical Physics (2007). 126(7) 074110.
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Circular dichroism and absorption spectroscopy of merocyanine dimer aggregates: molecular properties and exciton transfer dynamics from time-dependent quantum calculations in Phys. Chem. Chem. Phys. (2007). 9(47) 6214–6218.
2006[ to top ]
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Local control theory applied to coupled electronic and nuclear motion in Chemical Physics (2006). 329(1) 118–125.
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Classical aspects emerging from local control of energy and particle transfer in molecules in Journal of Photochemistry and Photobiology A: Chemistry (2006). 180(3) 271–276.
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Application of a reflection principle to spectroscopic transitions in molecular dimers in Chemical Physics Letters (2006). 433(1) 199–203.
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Complete local control of molecular excited state photo-fragmentation in Chemical Physics Letters (2006). 426(4) 263–267.
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Local control of the quantum dynamics in multiple potential wells in The Journal of Chemical Physics (2006). 124(5) 054325.
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On the geometry dependence of molecular dimer spectra with an application to aggregates of perylene bisimide in Chemical Physics (2006). 328(1) 354–362.
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Ground state vibrational wave-packet and recovery dynamics studied by time-resolved CARS and pump-CARS spectroscopy in Journal of Raman Spectroscopy (2006). 37(1-3) 397–403.
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The excited-state geometry of 1-hydroxy-2- acetonaphthone: a resonance Raman and quantum chemical study in Journal of Raman Spectroscopy (2006). 37(1-3) 148–160.
2005[ to top ]
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Vibronic energies and spectra of molecular dimers in The Journal of Chemical Physics (2005). 122(13) 134103.
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Population transfer in the multiphoton excitation of molecules in Phys. Rev. A (2005). 72(1) 013404.
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Instantaneous dynamics and quantum control fields: Principle and numerical applications in The Journal of Chemical Physics (2005). 122(18) 184103.
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On the control of resonant versus non-resonant electronic transitions in molecular photodissociation in Chemical Physics Letters (2005). 414(1) 17–22.
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Isotope effects in the photofragmentation of symmetric molecules: The branching ratio of {OD}∕{OH} in water in The Journal of Chemical Physics (2005). 122(20) 204320.
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Femtosecond pulse induced predissociation dynamics in static electric fields in Phys. Chem. Chem. Phys. (2005). 7(3) 469–474.
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Predissociation and dissociation dynamics in quantum control fields in Chemical Physics Letters (2005). 407(4) 471–476.
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Local control of molecular fragmentation: The role of orientation in The Journal of Chemical Physics (2005). 123(20) 204320.
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FEMTOSECOND LASER PHOTOELECTRON SPECTROSCOPY ON ATOMS AND SMALL MOLECULES: Prototype Studies in Quantum Control in Annual Review of Physical Chemistry (2005). 56(1) 25–56.
2004[ to top ]
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Infrared spectrum and predissociation dynamics of H₂O⁺-Ar in The Journal of Chemical Physics (2004). 121(24) 12345.
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Electronic predissociation: a model study in The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics (2004). 30(3) 327–333.
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Combined electronic and nuclear dynamics in a simple model system. {II}. Spectroscopic transitions in The Journal of Chemical Physics (2004). 120(1) 158–164.
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Time-dependent electron localization functions for coupled nuclear-electronic motion in The Journal of Chemical Physics (2004). 121(19) 9666–9670.
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Indirect versus direct photoionization with ultrashort pulses: interferences and time-resolved bond-length changes in Chemical Physics Letters (2004). 385(1) 60–65.
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Approaches to Wave Packet Imaging Using Femtosecond Ionization Spectroscopy in The Journal of Physical Chemistry A (2004). 108(41) 8954–8960.
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Quantum control fields from instantaneous dynamics in Chemical Physics Letters (2004). 398(1) 180–185.
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Fractional revivals in the rovibrational motion of I₂ in The Journal of Chemical Physics (2004). 120(22) 10442–10449.
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Molecular orientation via a dynamically induced pulse-train: Wave packet dynamics of {NaI} in a static electric field in The Journal of Chemical Physics (2004). 120(13) 5871–5874.
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How Delocalized Is N,N,N‘,N‘-Tetraphenylphenylenediamine Radical Cation? An Experimental and Theoretical Study on the Electronic and Molecular Structure in Journal of the American Chemical Society (2004). 126(25) 7834–7845.
2003[ to top ]
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Combined electronic and nuclear dynamics in a simple model system in The Journal of Chemical Physics (2003). 119(2) 672–679.
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Photodissociation and recombination dynamics of I₂ in DDR (decadodecasil 3R): Dependence on the geometry of the host matrix monitored by femtosecond time-resolved pump-probe experiments in Phys. Chem. Chem. Phys. (2003). 5(5) 865–876.
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Chirped pulse ionization: bondlength dynamics and interference effects in Chemical Physics Letters (2003). 373(3) 319–327.
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Probing the Kinetics of a Nonadiabatic Transition Initiating Out of Vibrationally Excited as Well as Ground State Modes with Femtosecond Time-Resolved Transient Gratings in The Journal of Physical Chemistry A (2003). 107(40) 8355–8362.
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The mechanism of light storage in spherical microcavities explored on a femtosecond time scale in Optics Communications (2003). 216(4) 321–327.
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Determination of transition dipole moments from time–resolved photoelectron spectroscopy in Eur. Phys. J. D (2003). 25(1) 95–99.
2002[ to top ]
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Applications of the Karhunen-Lo{\`{e}}ve Decomposition to Quantum Dynamical Problems in Zeitschrift f\"{u}r Physikalische Chemie (2002). 216(3/2002)
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Time-resolved photoelectron spectroscopy: in Journal of Organometallic Chemistry (2002). 661(1) 191–197.
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Femtosecond time-resolved photoelectron spectroscopy with high frequency probe pulses in Chemical Physics Letters (2002). 351(3) 275–280.
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Fermi–Pasta–Ulam recurrences, normal modes and wave-packet revivals in Chemical Physics Letters (2002). 356(1) 29–35.
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Cationic molecular wave packets: "Settin’ the pace" in The Journal of Chemical Physics (2002). 116(12) 4762.
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The Effect of the Electron-Electron Interaction in Above-Threshold Double Ionization in Laser Physics (2002). 12(2) 487–490.
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Strong-field ionization dynamics of a model H₂ molecule in Physical Review A (2002). 65(3)
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Time-resolved photoelectron spectroscopy of molecular dissociation: Classical trajectory versus quantum wave-packet calculations in Phys. Chem. Chem. Phys. (2002). 4(20) 5014–5019.
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Target wave-packet control and its detection using time-resolved photoelectron spectroscopy in Chemical Physics Letters (2002). 358(3) 344–349.
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Optimal pump{\textendash}dump control and time-frequency resolved spectroscopy of ground-state wave-packet focusing in The Journal of Chemical Physics (2002). 117(13) 6142–6147.
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The role of specific normal modes during non-Born–Oppenheimer dynamics: the S1–S0 internal conversion of β-carotene interrogated on a femtosecond time-scale with coherent anti-Stokes Raman scattering in Journal of Raman Spectroscopy (2002). 33(11-12) 844–854.
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Population Dynamics in Vibrational Modes during Non-Born−Oppenheimer Processes: CARS Spectroscopy Used as a Mode-Selective Filter in Journal of the American Chemical Society (2002). 124(22) 6242–6243.
2000[ to top ]
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Hybrid quantum/classical study of {ICN} in an Ar matrix: Photofragmentation and cage exit in The Journal of Chemical Physics (2000). 113(3) 1027–1034.
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Mapping of wave packets in direct fragmentation via pump{\textendash}probe frequency integrated fluorescence spectroscopy in The Journal of Chemical Physics (2000). 112(1) 106–111.
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Oscillatory pump{\textendash}probe signals from delocalized wave packets in The Journal of Chemical Physics (2000). 113(14) 5770–5775.
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Collision-induced bound state motion in I₂. A classical molecular dynamics study in The Journal of Chemical Physics (2000). 113(16) 6585–6591.
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Stochastic trajectory simulation of femtosecond pump{\textendash}probe spectroscopy in Chemical Physics Letters (2000). 332(1-2) 110–116.
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Molecular Dynamics Simulation of Femtosecond Pump-Probe Experiments on I₂ in Ar Environments in Zeitschrift f\"{u}r Physikalische Chemie (2000). 214(9)
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Phase-energy approach to collision-induced vibrational relaxation in The Journal of Chemical Physics (2000). 113(20) 8865–8868.
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On the mechanism of strong-field double photoionization in the helium atom in Journal of Physics B: Atomic, Molecular and Optical Physics (2000). 33(3) 433.
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Characterization of nuclear wave packets describing molecular photodissociation in The Journal of Chemical Physics (2000). 113(9) 3609–3614.
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Intense-Field Double Ionization of Helium: Identifying the Mechanism in Phys. Rev. Lett. (2000). 85(22) 4707–4710.
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Wave packet dynamics in different electronic states investigated by femtosecond time-resolved four-wave-mixing spectroscopy in Applied Physics B (2000). 71(3) 299–317.
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Femtosecond time-resolved CARS and DFWM spectroscopy on gas-phase I₂: a wave-packet description in Journal of Raman Spectroscopy (2000). 31(1-2) 33–39.
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Non-perturbative wave-packet calculations of time-resolved four-wave-mixing signals in Applied Physics B (2000). 71(3) 293–297.
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Theoretical analysis of femtosecond excitation and fragmentation dynamics of Fe({CO})₅ in Chemical Physics Letters (2000). 316(5-6) 585–592.
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Separation of vibrational and rotational coherences with polarized femtosecond time-resolved four-wave mixing spectroscopy in Journal of Raman Spectroscopy (2000). 31(1-2) 25–31.
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Pulse-width and isotope effects in femtosecond-pulse strong-field dissociation of H₂⁺ and D₂⁺ in Phys. Rev. A (2000). 62(6) 063402.
1999[ to top ]
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Ultrafast detection and control of molecular dynamics in Proceedings of the National Academy of Sciences (1999). 96(15) 8328–8329.
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Determination of wave packet dynamics by femtosecond time-resolved pump-dump-probe and four-wave mixing techniques in Journal of Molecular Structure (1999). 480-481 33–43.
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Single and multiple collision effects observed in the femtosecond spectroscopy of I₂-rare gas collision complexes: a statistical description in The Journal of Chemical Physics (1999). 110(7) 3335–3340.
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Classical simulations on the pump–probe spectroscopy of I₂ encapsulated in DDR porosil in Chemical Physics Letters (1999). 311(3-4) 146–152.
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Construction of a Potential Energy Surface for Molecular Dynamics Studies of Methane Adsorbed in Zeolites in The Journal of Physical Chemistry A (1999). 103(26) 5116–5122.
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Quantum-classical molecular dynamics simulation of femtosecond spectroscopy on I₂ in inert gases: Mechanisms for the decay of pump{\textendash}probe signals in The Journal of Chemical Physics (1999). 111(17) 7807–7817.
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A novel mixed quantum/classical method for the dynamics of molecules in a gas environment with an application to femtosecond time-resolved spectroscopy in Chemical Physics Letters (1999). 302(1-2) 20–26.
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On the deconvolution of the temporal width of laser pulses from pump{\textendash}probe signals in The Journal of Chemical Physics (1999). 111(23) 10469–10475.
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Structures in molecular photofragment and photoelectron distributions from two-photon non-resonant excitation in Chemical Physics Letters (1999). 300(3-4) 269–274.
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Simulation of femtosecond time-resolved four-wave mixing experiments on I₂ in Chemical Physics Letters (1999). 301(3-4) 248–254.
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A CASSCF/MR-CCI study of the excited states of Fe(CO)₅ in Chemical Physics Letters (1999). 302(5-6) 489–494.
1998[ to top ]
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Excitation of symmetric and anti-symmetric stretching motion in the continuum resonance Raman scattering from {ABA}-type molecules in Chemical Physics Letters (1998). 284(1-2) 39–46.
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Molecular femtosecond excitation described within the Gaussian wave packet approximation in The Journal of Chemical Physics (1998). 108(21) 8983–8988.
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Geminate recombination processes induced by rare gas collisions with predissociating NaI molecules prepared by femtosecond excitation in Theoretical Chemistry Accounts (1998). 100(1) 199–203.
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Pump/Probe Spectroscopy of NaI in Rare Gas Environments: A Statistical Description in The Journal of Physical Chemistry A (1998). 102(38) 7406–7413.
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Single-collision caging of dissociating I₂: wave packet calculations and simulation of femtosecond spectra in Chemical Physics Letters (1998). 287(5-6) 487–495.
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An effective method for the quantum mechanical description of photoionization with ultrashort intense laser pulses in The Journal of Chemical Physics (1998). 109(1) 36–41.
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Photoelectron distributions from femtosecond pump/probe excitation with chirped probe pulses in The Journal of Chemical Physics (1998). 108(18) 7631–7636.
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Fragmentation dynamics of Fe(CO)₅ upon femtosecond excitation: a time-dependent statistical description in Chemical Physics Letters (1998). 293(5) 485–490.
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Femtosecond Time-Resolved CARS Spectroscopy on Binary Gas-Phase Mixtures: A Theoretical and Experimental Study of the Benzene/Toluene System in The Journal of Physical Chemistry A (1998). 102(48) 9734–9738.
1997[ to top ]
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Pump/probe direct photoionization from thermally hot samples: the Cs₂ molecule in Zeitschrift f{\"u}r Physik D Atoms, Molecules and Clusters (1997). 39(4) 301–307.
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The perturbation of coherent wave-packet dynamics by atom/molecule collisions: the NaI + Ar system in Chemical Physics Letters (1997). 275(5-6) 519–526.
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Stimulated emission processes and strong field effects in ultrashort pulse excitation of a predissociative molecule in Chemical Physics (1997). 217(2-3) 249–257.
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Inversion of Potential Energy Curves from Continuum Resonance Raman Scattering Data with the Help of a Reflection Principle in Journal of Raman Spectroscopy (1997). 28(6) 427–431.
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Semiclassical photodissociation cross section for H₂O in Journal of Physics B: Atomic, Molecular and Optical Physics (1997). 30(14) 3191.
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Vibrational dynamics and energy flow in a multi-mode organometallic compound in Chemical Physics Letters (1997). 270(1-2) 222–228.
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A theoretical analysis of the time-resolved femtosecond CARS spectrum of I₂ in Chemical Physics Letters (1997). 281(4-6) 332–336.
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Vibrational Revivals and the Control of Photochemical Reactions in The Journal of Physical Chemistry A (1997). 101(42) 7749–7753.
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The calculation of time-resolved negative-ion-to-neutral-to-positive-ion-spectra with an application to iron-carbonyl in The Journal of Chemical Physics (1997). 107(4) 1066–1072.
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Femtosecond time-resolved two-photon ionization spectroscopy of K₂ in The Journal of Chemical Physics (1997). 107(23) 9749–9754.
1996[ to top ]
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Addendum to: Nanosecond wave-packet propagation with the split-operator technique [Comput. Phys. Commun. 93 (1996) 152] in Computer Physics Communications (1996). 98(1-2) 265.
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Wave-packet interference and stabilization of a predissociating molecule in Chemical Physics Letters (1996). 255(4-6) 258–262.
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Short-time wave-packet dynamics and the reflection principle of continuum resonance Raman scattering in Chemical Physics Letters (1996). 263(5) 640–644.