Quantum Diffusion of H/Ni(111) through the Monte Carlo Wave Function Formalism

Abstract

We consider a quantum system coupled to a dissipative background with many degrees of freedom using the Monte Carlo Wave Function method. Instead of dealing with a density matrix which can be very high-dimensional, the method consists of integrating a stochastic Schrodinger equation with a non-hermitian damping term in the evolution operator, and with random quantum jumps. The method is applied to the diffusion of hydrogen on the Ni(111) surface below 100 K. We show that the recent experimental diffusion data for this system can be understood through an interband activation process, followed by quantum tunnelling.

In press at Phys.Rev.Lett

Cited by in corpus (7)

• Energetics and Vibrational States for Hydrogen on Pt(111)
• Quantum effects in the diffusion of hydrogen on Ru(0001)
• Diffusion Rates for Hydrogen on Pd(111) from Molecular Quantum Dynamics Calculations
• Electronic properties of H on vicinal Pt surfaces: A first-principles study
• A temperature behavior of the frustrated translational mode of adsorbate and the nature of the "adsorbate-substrate" interaction
• Cold collisions in dissipative optical lattices
• Coherence, decoherence, and memory effects in the problems of quantum surface diffusion