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Updated: Aug 4, 2026

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
Published on: April 12, 2019
Many-body GW calculations of ground-state properties: quasi-2D electron systems and van der Waals forces
1Departamento de Física Fundamental, Universidad Nacional de Educación a Distancia, Apartado 60141, 28080 Madrid, Spain.
Abstract:
We present GW many-body results for ground-state properties of two simple but very distinct families of inhomogeneous systems in which traditional implementations of density-functional theory (DFT) fail drastically. The GW approach gives notably better results than the well-known random-phase approximation, at a similar computational cost. These results establish GW as a superior alternative to standard DFT schemes without the expensive numerical effort required by quantum Monte Carlo simulations.
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