55 citations · 211 across the 10 of their papers we have counts for
10 papers
Accurate and efficient treatment of spin-orbit coupling via second variation employing local orbitals
Cecilia Vona, Sven Lubeck, Hannah Kleine +2
A new method is presented that allows for efficient evaluation of spin-orbit coupling (SOC) in density-functional theory calculations. In the so-called second-variational scheme, w…
Extrapolation to complete basis-set limit in density-functional theory by quantile random-forest models
Daniel T. Speckhard, Christian Carbogno, Luca Ghiringhelli +3
The numerical precision of density-functional-theory (DFT) calculations depends on a variety of computational parameters, one of the most critical being the basis-set size. The ult…
Numerical Quality Control for DFT-based Materials Databases
Christian Carbogno, Kristian Sommer Thygesen, Björn Bieniek +10
Electronic-structure theory is a strong pillar of materials science. Many different computer codes that employ different approaches are used by the community to solve various scien…
Crossover scaling in the Domany-Kinzel cellular automaton
S. Lubeck
We consider numerically the crossover scaling behavior from the directed percolation universality class to the compact directed percolation universality class within the one-dimens…
Tricritical directed percolation
S. Lubeck
We consider a modification of the contact process incorporating higher-order reaction terms. The original contact process exhibits a non-equilibrium phase transition belonging to t…
Scaling behavior of the directed percolation universality class
S. Lubeck, R. D. Willmann
In this work we consider five different lattice models which exhibit continuous phase transitions into absorbing states. By measuring certain universal functions, which characteriz…