Reduced density matrix quantum approach for particle trapping and sticking on corrugated moving surfaces.
A short time propagation algorithm for the reduced density matrix is derived to model the interaction of a quantum particle with a moving corrugated surface. The algorithm includes dissipative terms, which can be derived directly from the full Hamiltonian. The scattering of He from a corrugated Cu surface is examined as a function of incident energy and angle and the temperature of the substrate, with a focus on the nature of trapping. It is found that corrugation can make a significant contribution to trapping, even on a metal surface. Energy exchange with the phonons is shown to significantly modify the nature of diffraction mediated selective adsorption.
Medina
Zuleika
Z
Department of Chemistry, University of Massachusetts, Amherst, Massachusetts 01003, USA.
Jackson
Bret
B