Publications

Preprints

  • with O. Deiser: On the higher derivates of arctan, e-print at arXiv:1705.09459 Pfeil
  • with J. Keller, T. Ohsawa: Quantum expectations via spectrograms, e-print at arXiv:1603.01478 Pfeil
  • with R. Schubert, S. Troppmann: Non-Hermitian propagation of Hagedorn wavepackets, e-print at arXiv:1507.02858 Pfeil

Books

  • with O. Deiser, E. Vogt, D. Werner: 12 x 12 Schlüsselkonzepte zur Mathematik, Springer Spektrum (2011, 2016)
    Contents, ebook at SpringerLink Pfeil
  • with O. Deiser: Erste Hilfe in Linearer Algebra Pfeil _(Die erste Auflage dieses Buches ist 2015 bei Springer erschienen.)_

Introductory text

  • with G. Hagedorn: Molecular Quantum Dynamics, Snapshot Pfeil of Modern Mathematics from Oberwolfach (2017)

Peer-reviewed journals in mathematics

  • with G. Hagedorn: Symmetric Kronecker products and semiclassical wave packets
    SIAM J. Matr. An. 38(4), pp. 1560-1579 (2018), DOI 10.1137/16M106577X Pfeil, e-print at arXiv:1603.04284 Pfeil
  • with D. Sattlegger: Discretising the Herman-Kluk propagator
    Num. Math., 137(1), pp. 119-157 (2017), DOI 10.1007/s00211-017-0871-0 Pfeil, e-print at arXiv:1605.00588 Pfeil
  • with C. Fermanian Kammerer: An Egorov Theorem for avoided crossings of eigenvalue surfaces
    Comm. Math. Phys. 353(3), pp. 1011-1057 (2017), DOI 10.1007/s00220-017-2890-1 Pfeil, e-print at arXiv:1605.03520 Pfeil
  • with J. Keller, T. Ohsawa: A new phase space density for quantum expectations
    SIAM J. Math. An. 48(1), pp. 513–537 (2016), DOI 10.1137/15M1028388 Pfeil, e-print at arXiv:1506.08880 Pfeil
  • with W. Gaim: Corrections to Wigner type phase space methods
    Nonlinearity 27, pp. 2951-2974 (2014), DOI 10.1088/0951-7715/27/12/2951 Pfeil, e-print at arXiv:1403.2839 Pfeil
  • with S. Troppmann: Hagedorn wavepackets in time-frequency and phase space
    J. Fourier An. Appl. 20, pp. 679-714 (2014), DOI 10.1007/s00041-014-9330-9 Pfeil, e-print at arXiv:1303.5192 Pfeil
  • with J. Keller: Propagation of Quantum Expectations with Husimi Functions
    SIAM J. Appl. Math. 73, pp. 1557-1581 (2013), DOI 10.1137/120889186 Pfeil, e-print at arXiv:1207.7211v2 Pfeil
  • with C. Fermanian Kammerer, P. Gerard: Wigner Measure Propagation and Conical Singularity for General Initial Data
    Arch. Rat. Mech. An. 209, pp. 209-236 (2013), DOI 10.1007/s00205-013-0622-z Pfeil, e-print at arXiv:1203.5047 Pfeil
  • with S. Röblitz: Computing expectation values for molecular quantum dynamics
    SIAM J. Sci. Comput. 32, pp. 1465-1483 (2010), preprint, DOI 10.1137/090770461 Pfeil
  • with S. Fujiie, L. Nedelec: Semiclassical resonances for a two-level Schrödinger operator with a conical intersection
    Asympt. Anal. 65, pp. 17-58 (2009), preprint, DOI 10.3233/ASY-2009-0946 Pfeil
  • with S. Kube, M. Weber: Monte Carlo sampling of Wigner functions and surface hopping quantum dynamics
    J. Comput. Phys. 228, pp. 1947-1962 (2009), preprint, DOI 10.1016/j.jcp.2008.11.016  Pfeil
  • with C. Fermanian Kammerer: Propagation through generic level crossings: a surface hopping semigroup
    SIAM J. Math. An. 40(1), pp. 103-133 (2008), preprint, DOI 10.1137/070686810  Pfeil
  • with T. Swart, S. Teufel: Construction and validation of a rigorous surface hopping algorithm for conical crossings
    Comm. Math. Sci. 5(4), pp. 789-814 (2007), preprint, journal Pfeil
  • with S. Teufel: Propagation through conical crossings: an asymptotic semigroup
    Comm. Pure Appl. Math. 58(9), pp. 1188-1230 (2005), preprint, DOI 10.1002/cpa.20087 Pfeil
  • with C. Fermanian Kammerer: Wigner measures and codimension two crossings
    J. Math. Phys. 44(2), pp. 507-527 (2003), preprint, DOI 10.1063/1.1527221 Pfeil
  • with A. Toselli: An overlapping domain decomposition preconditioner for a class of discontinuous Galerkin approximations of advection-diffusion problems
    Math. Comp. 72, pp. 1215-1238 (2003), preprint, DOI 10.1090/S0025-5718-03-01484-4  Pfeil

Peer-reviewed journals in chemistry/physics

  • with A. Belyaev, W. Domcke, G. Trigila: Nonadiabatic nuclear dynamics of the ammonia cation studied by surface hopping classical trajectory calculations
    J. Chem. Phys. 142, 104307, 10 pages (2015), e-print at arXiv:1412.3047 Pfeil DOI 10.1063/1.4913962 Pfeil
  • with J. Keller: Quasi-classical description of molecular dynamics based on Egorov's theorem
    J. Chem. Phys. 141, 054104, 11 pages, (2014), e-print at arXiv:1405.7355 Pfeil DOI 10.1063/1.4891517 Pfeil
  • with A. Belyaev, G. Trigila: Landau-Zener type surface hopping algorithms
    J. Chem. Phys. 140, 224108, 11 pages (2014), e-print at arXiv:1403.4859 Pfeil, DOI 10.1063/1.4882073 Pfeil
  • with C. Fermanian Kammerer: Single switch surface hopping for molecular quantum dynamics
    J. Math. Chem. 50(3), pp. 620-635 (2012), preprint, DOI 10.1007/s10910-011-9816-5 Pfeil
  • with A. Kenfack, F. Marquardt, G. Paramonov, I. Barth, B. Paulus: Initial state dependence of coupled electronic and nuclear fluxes in molecules
    Phys. Rev. A 81, 052502, 7 pages (2010), preprint, DOI 10.1103/PhysRevA.81.052502  Pfeil
  • with I. Barth: Trigonometric pulse envelopes for laser induced quantum dynamics
    J. Phys. B: At. Mol. Opt. Phys. 42, 235101, 8 pages (2009), preprint, DOI 10.1088/0953-4075/42/23/235101  Pfeil
  • with T. Swart: Single switch surface hopping for a model of pyrazine
    J. Chem. Phys. 129, pp. 034302, 8 pages (2008), preprint, DOI 10.1063/1.2954019  Pfeil
  • with C. Fermanian Kammerer: Single switch surface hopping for molecular dynamics with transitions
    J. Chem. Phys. 128, pp. 144102, 9 pages (2008), preprint, DOI 10.1063/1.2888549  Pfeil

Proceedings

  • with F. Bornemann, T. Swart: Energy level crossings in molecular dynamics
    Analysis, Modeling, and Simulation of Multiscale Problems, A. Mielke (Ed.), pp. 577-594 (2006), preprint
  • with I. Barth, L. Gonzalez, J. Manz, T. Rozgonyi: Laser control of nuclear and electron dynamics: bond selective photodissociation and electron circulation
    Coherent Control of Molecules CCP6, B. Lasorne and G. Worth (Eds.), pp. 18-27 (2006), preprint
  • with A. Toselli: Convergence of Some Two-Level Overlapping Domain Decomposition Preconditioners with Smoothed Aggregation Coarse Spaces
    Recent Developments in Domain Decomposition Methods, L. Pavarino and A. Toselli (Eds.), Lecture Notes in Computational Science and Engineering 23, pp. 95-117 (2002), preprint
  • with A. Toselli: Overlapping preconditioners for discontinuous Galerkin approximations of second order problems
    Proceedings of the 13th International Conference of Domain Decomposition (2001), preprint
 
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