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333 papers
Designing explicit functionals for the charge density in terms of a potential
Muhammed H. Güneş, Ayoub Aouina, Vitaly Gorelov +2
One of the most powerful strategies to address properties of real many-body systems is to incorporate data obtained for models, for example, to use data of the homogeneous electron…
Challenges in predicting positron annihilation lifetimes in lead halide perovskites: correlation functionals and polymorphism
Kajal Madaan, Guido Roma, Jasurbek Gulomov +3
Halide perovskites have emerged in the last decade as a new important class of semiconductors for a variety of optoelectronic applications. A lot of previous studies were thus devo…
Second ac screening step as a probe for the first-order melting transition in layered vortex matter at intermediate temperatures
Gonzalo Rumi, Pablo Pedrazzini, Hernán Pastoriza +2
We present a new probe for the first-order transition for layered vortex matter: A second step in the screening of an ac field that is independent of the frequency and amplitude of…
Electron charge dynamics and charge separation: A response theory approach
Lionel Lacombe, Lucia Reining, Vitaly Gorelov
This study applies response theory to investigate electron charge dynamics, with a particular focus on charge separation. We analytically assess the strengths and limitations of li…
Electrostatics in semiconducting devices II: Solving the Helmholtz equation
Antonio Lacerda-Santos, Xavier Waintal
The convergence of iterative schemes to achieve self-consistency in mean field problems such as the Schrödinger-Poisson equation is notoriously capricious. It is particularly diffi…
Spontaneous stochasticity in a 3d Weierstrass-ABC flow
Antoine Barlet, Adam Cheminet, Bérengère Dubrulle +1
Chaotic systems are characterised by exponential separation between close-by trajectories, which in particular leads to deterministic unpredictability over an infinite time-window.…