Accurate surface and adsorption energies from many-body perturbation theory
Abstract
Although density functional theory is widely used in surface science, it has a tendency to predict surfaces to be more stable than they actually are experimentally. Using a many-electron approach such as the random-phase approximation enables accurate surface and adsorption energies for carbon monoxide and benzene on metal surfaces to be...
Paper Details
Title
Accurate surface and adsorption energies from many-body perturbation theory
Published Date
Jul 25, 2010
Journal
Volume
9
Issue
9
Pages
741 - 744
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