Theoretical Surface Science: A Microscopic Perspective

By A. Gross. 2002

201 citations recorded by the source corpus.

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Analytic projection from plane‐wave and PAW wavefunctions and application to chemical‐bonding analysis in solids (2013, background): “Recently, a number of methods have been proposed to overcome this fundamental issue, built around the concept of basis-set projection onto a local auxiliary basis.”
The effect of crystallographic orientation on the active corrosion of pure magnesium (2008, background): “Close-packed planes have a higher atomic coordination, have higher binding energy and are thought to have superior corrosion resistance [15–17].”
Surface oxidation energetics and kinetics on MoS2 monolayer (2015, unknown): “Since the local density approximation (LDA) is found to overestimate the binding energy, 32,33 the exchange correlation interactions are incorporated as a functional of the Generalized Gradient Approximation (GGA) 34–36 in the present work.”