Quantum Diffusion of H/Ni(111) through Monte Carlo Wave Function Formalism
Loading...
Access rights
openAccess
publishedVersion
URL
Journal Title
Journal ISSN
Volume Title
A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
This publication is imported from Aalto University research portal.
View publication in the Research portal (opens in new window)
View/Open full text file from the Research portal (opens in new window)
View publication in the Research portal (opens in new window)
View/Open full text file from the Research portal (opens in new window)
Authors
Date
Department
Major/Subject
Mcode
Degree programme
Language
en
Pages
5092-5096
Series
Physical Review Letters, Volume 86, issue 22
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 highly dimensional, the method consists of integrating a stochastic Schrödinger 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 tunneling.Description
Other note
Citation
Badescu , S , Ying , S C & Ala-Nissila , T 2001 , ' Quantum Diffusion of H/Ni(111) through Monte Carlo Wave Function Formalism ' , Physical Review Letters , vol. 86 , no. 22 , pp. 5092-5096 . https://doi.org/10.1103/PhysRevLett.86.5092