Canadian Journal of Physics · 1987 · 12 citations · 0 references
Natural SciencesChemistryPhysicsComputational ChemistryPhysical ChemistrySolid State PhysicsCluster ChemistryCondensed Matter SimulationsInteratomic PotentialsMolecular DynamicsStates Of MatterComplex Formation StudiesDeuterium ChemistryInfrared Absorption LinesInfrared Absorption SpectraInfrared Absorption SpectroscopyMetropolis AlgorithmMetropolis-hastings SamplingSupersonic Flow Experiments
Using the Metropolis scheme, we have carried out a Monte Carlo simulation of solid deuterium in the neighbourhood of a [Formula: see text] ion. The simulation is performed using a [Formula: see text] potential, which is based on the theoretical study of the stationary-point geometries of [Formula: see text] conformers by Yamaguchi et al. Complexes similar to [Formula: see text] clusters, as observed in the supersonic nozzle-beam experiments of van Deursen and Reuss, are found to form in the solid. Infrared absorption in solid deuterium due to the presence of such complexes is discussed.