Vibrational States of the Hydrogen Isotopes on Pd(111)
Steven W. Rick, J. D. Doll
Abstract
The ground and excited vibrational states for the three hydrogen isotopes on the Pd(111) surface have been calculated. Notable features of these states are the high degree of anharmonicity, which is most prominently seen in the weak isotopic dependence of the parallel vibrational transition, and the narrow bandwidths of these states, which imply that atomic hydrogen is localized on a particular surface site on time scales of 100 picoseconds or more. Experiments to resolve ambiguities concerning the present system are suggested.
Create a lesson
Related papers
A Computational Study of Thirteen-atom Ar-Kr Cluster Heat Capacities
Don D. Frantz
A Variational Approach to the Structure and Thermodynamics of Linear Polyelectrolytes with Coulomb and Screened Coulomb Interactions
B. Jönsson, C. Peterson, B. Söderberg
Applications of the Optimized Effective Potential Method of Density Functional Theory to Atomic and Molecular Systems
T. Grabo, E. K. U. Gross
Relation between a Screened Polyelectrolyte and a Field Theory
Bo Soderberg
ΔI=4 and ΔI=8 bifurcations in rotational bands of diatomic molecules
Dennis Bonatsos, C. Daskaloyannis, G. A. Lalazissis et al.
A Dynamical Theory of Electron Transfer: Crossover from Weak to Strong Electronic Coupling
Juergen T. Stockburger, C. H. Mak