Related papers: Benchmarking magnetizabilities with recent density…
Within Current Density Functional Theory, we have studied a quantum dot made of 210 electrons confined in a disk geometry. The ground state of this large dot exhibits some features as a function of the magnetic field (B) that can be…
A Faraday force magnetometer is presented for measurements of magnetization at temperatures down to 100~mK and in magnetic fields up to 14~T. The specimen is mounted on a flexible cantilever forming a force-sensing capacitor in combination…
A Hall magnetometer with variable sensitivity is constructed to measure the magnetic properties of magnetic nanoparticles manufactured by different methods. This novel magnetometer can also be used to measure bulk materials and samples in…
Micron-sized Hall bars and micro-SQUIDs are now used routinely to measure the local static and dynamic magnetic response with micron-scale spatial resolution. While this provides a powerful new tool, determining the intrinsic magnetization…
In this work, we present the program MAELAS to calculate magnetocrystalline anisotropy energy, anisotropic magnetostrictive coefficients and magnetoelastic constants in an automated way by Density Functional Theory calculations. The program…
Most torsional barriers are predicted to high accuracy (about 1kJ/mol) by standard semilocal functionals, but a small subset has been found to have much larger errors. We create a database of almost 300 carbon-carbon torsional barriers,…
We derive an analytical density functional for the single-site entanglement of the one-dimensional homogeneous Hubbard model, by means of an approximation to the linear entropy. We show that this very simple density functional reproduces…
The probability density function (PDF) of some global average quantity plays a fundamental role in critical and highly correlated systems. We explicitly compute this quantity as a function of the magnetization for the two dimensional XY…
The linear response of itinerant transition metal ferromagnets to transverse magnetic fields is studied in a self-consistent adiabatic local-density approximation. The susceptibility is calculated from a microscopic Hamiltonian, including…
A study of the adsorption of CO on late 4d and $5d$ transition metal (111) surfaces (Ru, Rh, Pd, Ag, Os, Ir, and Pt) considering atop and hollow site adsorption is presented. The applied functionals include the gradient corrected PBE and…
Marked correlation functions, which are sensitive to the clustering of galaxies in different environments, have been proposed as constraints on modified gravity models. We present measurements of the marked correlation functions of galaxies…
We report the first high spatial resolution measurement of magnetic fields surrounding LkH$\alpha$ 101, a part of the Auriga-California molecular cloud. The observations were taken with the POL-2 polarimeter on the James Clerk Maxwell…
The molecular polarizability describes the tendency of a molecule to deform or polarize in response to an applied electric field. As such, this quantity governs key intra- and inter-molecular interactions such as induction and dispersion,…
In this paper, correlated studies on a test set of 36 small molecules are carried out with both wavefunction (HF, MP2, CCSD) and density functional (LDA, KT3, cTPSS, cM06-L) methods. The effect of correlation on exotic response properties…
Machine learning is used to approximate density functionals. For the model problem of the kinetic energy of non-interacting fermions in 1d, mean absolute errors below 1 kcal/mol on test densities similar to the training set are reached with…
Recent work has established Moreau-Yosida regularization as a mathematical tool to achieve rigorous functional differentiability in density-functional theory. In this article, we extend this tool to paramagnetic current-density-functional…
Context. Prominence seismology exploits our knowledge of the linear eigenoscillations for representative magnetohydro- dynamic models of filaments. To date, highly idealized models for prominences have been used, especially with respect to…
We describe a morphological imprint of magnetization found when considering the relative orientation of the magnetic field direction with respect to the density structures in simulated turbulent molecular clouds. This imprint was found…
We deploy and demonstrate the capabilities of the magnetic field model developed by Ewertowski & Basu (2013) by fitting observed polarimetry data of the prestellar core FeSt 1-457. The analytic hourglass magnetic field function derived…
Micro-magnets are key components for quantum information processing with individual spins, enabling arbitrary rotations and addressability. In this work, characterization of sub-micrometer sized CoFe ferromagnets is performed with Hall bars…