Refine
Has Fulltext
- no (126)
Year of publication
Document Type
- Article (126) (remove)
Language
- English (126)
Is part of the Bibliography
- yes (126)
Keywords
- photochemistry (3)
- density functional calculations (2)
- photoswitches (2)
- surface chemistry (2)
- AM1 calculations (1)
- Ab initio quantum chemical methods and calculations (1)
- Adsorption (1)
- Basis sets (1)
- CC2 calculations (1)
- Chemical calculations (1)
- Chemical dynamics (1)
- Classical MD (1)
- Cluster model (1)
- Coherent states (1)
- Computational chemistry (1)
- Correlation function (1)
- DNA origami (1)
- Dark reactions (1)
- Delta-Kohn Sham method (1)
- Density-matrix (1)
- Densityfunctional theory (1)
- Dimer (1)
- Dual-Responsiveness (1)
- Energy (1)
- Excimer (1)
- Generalized Langevin oscillator model (1)
- High-harmonic generation (1)
- Insulating films (1)
- Interchain interactions (1)
- Ionization (1)
- Isotope effect (1)
- Laser induced desorption (1)
- Lasers (1)
- Local density friction approximation (1)
- Manipulation of Emulsion Stability (1)
- Markov processes (1)
- Molecular dynamics with friction (1)
- Molecules (1)
- Monomers (1)
- Oligomers (1)
- Open quantum systems (1)
- PCM (1)
- Perylene (1)
- Photosynthesis (1)
- Poly vinyl alcohol (1)
- Quantum chemistry (1)
- Quantum mechanics (1)
- RuBisCO (1)
- Simulation of polymer XPS (1)
- Spiropyrane (1)
- Surface science (1)
- Surfactant (1)
- Switchable Surfactants (1)
- Thermal broadening effects (1)
- Vibrational states (1)
- Vibronic spectrum (1)
- X-ray photoelectron spectroscopy (1)
- absorbtion fine-structure (1)
- augmented-wave method (1)
- azobenzene (1)
- azobenzenes (1)
- bismuth (1)
- configuration interactions (1)
- dissipative dynamics (1)
- excited states (1)
- gold (1)
- graphite (1)
- hydrogen (1)
- imines (1)
- initio molecular-dynamics (1)
- isomerisation (1)
- isomerization (1)
- isotope effects (1)
- laser chemistry (1)
- micelles (1)
- multiphoton processes (1)
- nanoparticle dimers (1)
- organic compounds (1)
- oxidation (1)
- pH-Dependent Photoresponsivity (1)
- phonons (1)
- photochromism (1)
- photofragmentation (1)
- photooxidation (1)
- quantum control (1)
- quantum dynamics (1)
- rate constants (1)
- reduction (1)
- resonance Raman (1)
- scattering (1)
- simulations (1)
- strong field (1)
- substituent effects (1)
- surface hopping (1)
- surface-enhanced Raman scattering (1)
- surfactants (1)
- thermal isomerization (1)
- thermochemistry (1)
- tight-binding (1)
- time-dependent configuration interaction (1)
- transition (1)
- ultrafast reactions (1)
- van der Waals forces (1)
- visible light (1)
- visible-light (1)
- xanthenes (1)
Institute
- Institut für Chemie (126) (remove)
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.