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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Solving the Kadanoff-Baym equations for inhomogeneous systems: application to atoms and molecules

Nils Erik Dahlen1, Robert van Leeuwen

  • 1Theoretical Chemistry, Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands.

Physical Review Letters
|May 16, 2007
PubMed

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