J
Judith Harl
Researcher at University of Vienna
Publications - 13
Citations - 2959
Judith Harl is an academic researcher from University of Vienna. The author has contributed to research in topics: Density functional theory & Random phase approximation. The author has an hindex of 12, co-authored 13 publications receiving 2646 citations.
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Accurate surface and adsorption energies from many-body perturbation theory
Laurids Schimka,Judith Harl,Alessandro Stroppa,Andreas Grüneis,Martijn Marsman,Florian Mittendorfer,Georg Kresse +6 more
TL;DR: A computationally fairly efficient many-electron approach, the random phase approximation to the correlation energy, resolves this dilemma and yields at the same time excellent lattice constants, surface energies and adsorption energies for carbon monoxide and benzene on transition-metal surfaces.
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Assessing the quality of the random phase approximation for lattice constants and atomization energies of solids
TL;DR: In this paper, lattice constants, bulk moduli, and atomization energies of solids using the correlation energy evaluated within the adiabatic connection fluctuation-dissipation framework and applying the random-phase approximation are presented.
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Accurate bulk properties from approximate many-body techniques.
Judith Harl,Georg Kresse +1 more
TL;DR: It is shown that lattice constants, atomization energies of solids, and adsorption energies on metal surfaces evaluated using the random-phase approximation to the correlation energy are in very good agreement with experiment.
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Cohesive Properties and Asymptotics of the Dispersion Interaction in Graphite by the Random Phase Approximation
TL;DR: The structural properties of graphite, such as the interlayer equilibrium distance, the elastic constant, and the net layer binding energy, are obtained using the adiabatic-connection fluctuation-dissipation theorem in the random phase approximation.
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Cohesive energy curves for noble gas solids calculated by adiabatic connection fluctuation-dissipation theory
Judith Harl,Georg Kresse +1 more
TL;DR: In this paper, the authors apply the adiabatic connection fluctuation-dissipation theorem (ACFDT) to evaluate the correlation energy of the noble gas solids Ne, Ar, and Kr to describe long-range correlation effects including London dispersion or van der Waals interaction on top of conventional density functional theory calculations.