146 citations · 1k across the 33 of their papers we have counts for
12 papers · 1 filter
Electrically charged localized structures
D. Bazeia, M. A. Marques, R. Menezes
This work deals with an Abelian gauge field in the presence of an electric charge immersed in a medium controlled by neutral scalar fields, which interact with the gauge field thro…
Stable ordered phases of cuprous iodide with complexes of copper vacancies
Stefan Jaschik, Mário R. G. Marques, Michael Seifert +3
We perform an exhaustive theoretical study of the phase diagram of Cu-I binaries, focusing on Cu-poor compositions, relevant for p-type transparent conduction. We find that the int…
New twinlike models for scalar fields
D. Bazeia, L. Losano, M. A. Marques +1
This work investigates twinlike scalar field models that support kinks with the same energy density and stability. We find the first order equations compatible with the equations o…
Homogeneous electron gas in arbitrary dimensions
Robert Schlesier, Carlos L. Benavides-Riveros, Miguel A. L. Marques
The homogeneous electron gas is one of the most studied model systems in condensed matter physics. It is also at the basis of the large majority of approximations to the functional…
The CECAM Electronic Structure Library and the modular software development paradigm
Micael J. T. Oliveira, Nick Papior, Yann Pouillon +34
First-principles electronic structure calculations are very widely used thanks to the many successful software packages available. Their traditional coding paradigm is monolithic,…
Meta-local density functionals: a new rung on Jacob's ladder
Susi Lehtola, Miguel A. L. Marques
The homogeneous electron gas (HEG) is a key ingredient in the construction of most exchange-correlation functionals of density-functional theory. Often, the energy of the HEG is pa…