Born Oppenheimer Dynamics Near Metal Surfaces
Michael Galperin, Abraham Nitzan, Mark A. Ratner
TL;DR
This paper explores the application of Born-Oppenheimer potential surfaces to nuclear dynamics in molecules strongly coupled to metal surfaces, using a simple model to illustrate the construction of these surfaces in molecular junctions.
Contribution
It introduces a method for constructing Born-Oppenheimer potential surfaces in the context of molecules interacting with metal surfaces, relevant for molecular junctions.
Findings
Demonstrates the construction of Born-Oppenheimer surfaces for molecular junctions
Highlights the usefulness of these surfaces in nuclear dynamics near metal surfaces
Provides a simple model to illustrate the approach
Abstract
We discuss the usefulness of Born-Oppenheimer potential surfaces for nuclear dynamics for molecules strongly coupled to metal surfaces. A simple model demonstrating the construction of such surface for a molecular junction is discussed.
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Taxonomy
TopicsSurface and Thin Film Phenomena · Molecular Junctions and Nanostructures · Quantum, superfluid, helium dynamics