@article{Klamroth2006,
  author    = {Klamroth, Tillmann},
  title     = {Optimal control of ultrafast laser driven many-electron dynamics in a polyatomic molecule: N-methyl-6-quinolone},
  issn      = {0021-9606},
  doi       = {10.1063/1.2185633},
  year      = {2006},
  abstract  = {We report time-dependent configuration interaction singles calculations for the ultrafast laser driven many- electron dynamics in a polyatomic molecule, N-methyl-6-quinolone. We employ optimal control theory to achieve a nearly state-selective excitation from the S-0 to the S-1 state, on a time scale of a few (approximate to 6) femtoseconds. The optimal control scheme is shown to correct for effects opposing a state-selective transition, such as multiphoton transitions and other, nonlinear phenomena, which are induced by the ultrashort and intense laser fields. In contrast, simple two-level pi pulses are not effective in state-selective excitations when very short pulses are used. Also, the dependence of multiphoton and nonlinear effects on the number of states included in the dynamical simulations is investigated.},
  language  = {en}
}
@phdthesis{Klamroth2006,
  author    = {Klamroth, Tillmann},
  title     = {Quantum mechanical simulations for correlated many-electron dynamics and electron induced processes at surfaces},
  address   = {Potsdam},
  pages     = {206 S. : graph. Darst.},
  year      = {2006},
  language  = {en}
}
@article{FuechselKlamrothDokicetal.2006,
  author    = {F{\"u}chsel, Gernot and Klamroth, Tillmann and Dokic, Jadranka and Saalfrank, Peter},
  title     = {On the electronic structure of neutral and ionic azobenzenes and their possible role as surface mounted molecular switches},
  series = {The journal of physical chemistry : B, Condensed matter, materials, surfaces, interfaces \& biophysical chemistry},
  volume    = {110},
  journal   = {The journal of physical chemistry : B, Condensed matter, materials, surfaces, interfaces \& biophysical chemistry},
  number    = {33},
  publisher = {Soc.},
  address   = {Washington},
  issn      = {1520-6106},
  doi       = {10.1021/jp060969v},
  pages     = {16337 -- 16345},
  year      = {2006},
  abstract  = {We report quantum chemical calculations, mostly based on density functional theory, on azobenzene and substituted azobenzenes as neutral molecules or ions, in ground and excited states. Both the cis and trans configurations are computed as well as the activation energies to transform one isomer into the other and the possible reaction paths and reaction surfaces along the torsion and inversion modes. All calculations are done for the isolated species, but results are discussed in light of recent experiments aiming at the switching of surface mounted azobenzenes by scanning tunneling microscopes.},
  language  = {en}
}
@article{SaalfrankNestAndrianovetal.2006,
  author    = {Saalfrank, Peter and Nest, Mathias and Andrianov, Igor V. and Klamroth, Tillmann and Kroner, Dominic and Beyvers, Stephanie},
  title     = {Quantum dynamics of laser-induced desorption from metal and semiconductor surfaces, and related phenomena},
  volume    = {18},
  number    = {30},
  publisher = {IOP Publ.},
  address   = {Bristol},
  issn      = {1361-648X},
  doi       = {10.1088/0953-8984/18/30/S05},
  pages     = {S1425 -- S1459},
  year      = {2006},
  abstract  = {Recent progress towards a quantum theory of laser-induced desorption and related phenomena is reviewed, for specific examples. These comprise the photodesorption of NO from Pt(111), the scanning tunnelling microscope and laser- induced desorption and switching of H at Si(100), and the electron stimulated desorption and dissociation of CO at Ru(0001). The theoretical methods used for nuclear dynamics range from open-system density matrix theory over nonadiabatically coupled multi-state models to electron-nuclear wavepackets. Also, aspects of time-dependent spectroscopy to probe ultrafast nonadiabatic processes at surfaces will be considered for the example of two-photon photoemission of solvated electrons in ice layers on Cu(111)},
  language  = {en}
}