275 citations · 363 across the 6 of their papers we have counts for
6 papers
GPAW: An open Python package for electronic-structure calculations
Jens Jørgen Mortensen, Ask Hjorth Larsen, Mikael Kuisma +44
We review the GPAW open-source Python package for electronic structure calculations. GPAW is based on the projector-augmented wave method and can solve the self-consistent density…
Effective screening of medium-assisted Van der Waals interactions between embedded particles
Johannes Fiedler, Michael Walter, Stefan Yoshi Buhmann
The effect of an implicit medium on dispersive interactions of particle pairs is discussed and simple expressions for the correction relative to vacuum are derived. We show that a…
Macroscopic Quantum Electrodynamics and Density Functional Theory Approaches to Dispersion Interactions between Fullerenes
Saunak Das, Johannes Fiedler, Oliver Staufert +3
The processing and material properties of commercial organic semiconductors, for e.g. fullerenes is largely controlled by their precise arrangements, specially intermolecular symme…
Dispersion forces in inhomogeneous planarly layered media: A one-dimensional model for effective polarisabilities
Johannes Fiedler, Fabian Spallek, Priyadarshini Thiyam +4
Dispersion forces such as van der Waals forces between two microscopic particles, the Casimir--Polder forces between a particle and a macroscopic object or the Casimir force betwee…
Impact of effective polarisability models on the predicted release dynamics of CH and CO from premelted ice
J. Fiedler, P. Thiyam, F. A. Burger +6
We present a theory for Casimir--Polder forces acting on greenhouse gas molecules dissolved in a thin water film. Such a nanosized film has recently been predicted to arise on th s…
Effective Polarisability Models
Johannes Fiedler, Priyadarshini Thiyam, Anurag Kurumbail +7
Theories for the effective polarisability of a small particle in a medium are presented using different levels of approximation: we consider the virtual cavity, real cavity and the…