@article{AndrianovSaalfrank2006,
  author    = {Andrianov, Ivan and Saalfrank, Peter},
  title     = {Free vibrational relaxation of H adsorbed on a Si(100) surface investigated with the multi-configurational time-dependent Hartree method},
  series = {Chemical physics letters},
  volume    = {433},
  journal   = {Chemical physics letters},
  publisher = {Elsevier},
  address   = {Amsterdam},
  issn      = {0009-2614},
  doi       = {10.1016/j.cplett.2006.11.067},
  pages     = {91 -- 96},
  year      = {2006},
  abstract  = {The results of a quantum-mechanical study of vibrational relaxation of hydrogen adsorbed on a Si(100) surface with the multi-configurational time-dependent Hartree (MCTDH) method are presented. A two-dimensional subsystem is coupled non-linearly to a bath of harmonic oscillators (phonons of the Si bulk), and the relaxation of subsystem vibrations proceeds primarily via a two-phonon process. Characteristic times of the system evolution agree well with our previous perturbation theory study. The vibrational population decay is non-exponential, exhibiting pronounced recurrences due to finite bath size. The dependence of the lifetimes of the vibrational levels on the bath size and on the coupling details is investigated.},
  language  = {en}
}
@article{AndrianovSaalfrank2006,
  author    = {Andrianov, Ivan and Saalfrank, Peter},
  title     = {Theoretical study of vibration-phonon coupling of H adsorbed on a Si(100) surface},
  issn      = {0021-9606},
  doi       = {10.1063/1.2161191},
  year      = {2006},
  abstract  = {In this paper a perturbation-theory study of vibrational lifetimes for the bending and stretching modes of hydrogen adsorbed on a Si(100) surface is presented. The hydrogen-silicon interaction is treated with a semiempirical bond-order potential. Calculations are performed for H-Si clusters of different sizes. The finite lifetime is due to vibration-phonon coupling, which is assumed to be linear or bilinear in the phonon and nonlinear in the H-Si stretching and bending modes. Lifetimes and vibrational transition rates are evaluated with one- and two-phonon processes taken into account. Temperature effects are also discussed. In agreement with the experiment and previous theoretical treatment it is found that the H-Si (upsilon(s)=1) stretching vibration decays on a nanosecond timescale, whereas for the H-Si (upsilon(b)=1) bending mode a picosecond decay is predicted. For higher-excited vibrations, simple scaling laws are found if the excitation energies are not too large. The relaxation mechanisms for the excited H-Si stretching and the H-Si bending modes are analyzed in detail.},
  language  = {en}
}