Related papers: Benchmarking magnetizabilities with recent density…
The bipartite entanglement across the magnetization process of a highly frustrated spin-1/2 Heisenberg octahedral chain is examined within the concept of localized magnons, which enables a simple calculation of the concurrence measuring a…
Magnetic gels are composite materials, consisting of a polymer matrix and embedded magnetic particles. Those are mechanically coupled to each other, giving rise to the magnetostrictive effects as well as to a controllable overall elasticity…
Magnetic helicity is conserved under ideal magnetohydrodynamics (MHD) and quasi-conserved even under a resistive process. The standard definition for magnetic helicity cannot be applied directly to an open magnetic field in a volume,…
One can estimate the characteristic magnetic field strength in GMCs by comparing submillimeter polarimetric observations of these sources with simulated polarization maps developed using a range of different values for the assumed field…
Finding the true magnetic structure at given external conditions is crucial for describing magnetic materials and predicting their properties. This is especially important for high-throughput screening of potentially good magnets that…
Simulations of magnetization dynamics in a multiscale environment enable rapid evaluation of the Landau-Lifshitz-Gilbert equation in a mesoscopic sample with nanoscopic accuracy in areas where such accuracy is required. We have developed a…
We compare the predictions of the GUMICS$-$4 global magnetohydrodynamic model for the interaction of the solar wind with the Earth's magnetosphere with Cluster~SC3 measurements for over one year, from January 29, 2002, to February 2, 2003.…
Approximate computing is an emerging paradigm where design accuracy can be traded off for benefits in design metrics such as design area, power consumption or circuit complexity. In this work, we present a novel paradigm to synthesize…
Magnetic force microscopy and scanning tunneling microscopy data could be used to test computer numerical models of magnetism. The elaborated numerical model of a face-centered lattice Ising spins is based on pixel distribution in the image…
The phenomenon of ferromagnetic resonance (FMR) is still being exploited for determining the magnetocrystalline anisotropy constants of magnetic materials. We show that one can also determine accurately the saturation magnetization of the…
Training machine learning interatomic potentials (MLIPs) on total energies of molecular clusters using differential or transfer learning is becoming a popular route to extend the accuracy of correlated wave-function theory to condensed…
We have studied the structure and properties of potassium clusters containing even number of atoms ranging from 2 to 20 at the ab initio level. The geometry optimization calculations are performed using all-electron density functional…
In the recent work of S. Sharma \emph{et al.}, (arxiv.org: arxiv:0912.1118), a single-electron spectrum associated with the natural orbitals was defined as the derivative of the total energy with respect to the occupation numbers at half…
Foundational machine learning interatomic potentials (MLIPs) are being developed at a rapid pace, promising closer and closer approximation to ab initio accuracy. This unlocks the possibility to simulate much larger length and time scales.…
The objective of this paper is to help shedding some light on the nature and the properties of the cold structures formed via thermal instability in the magnetized atomic interstellar medium. To this end, we searched for clumps formed in…
The study of defects in materials is of utmost importance for technological applications and the design of new materials. In this work, we analyze the performance of density functional approximations on two prototypical sets of defective…
Ab-initio calculation of magnetocrystalline anisotropy energy (MCAE) often requires a strict convergence criterion and a dense k-point mesh to sample the Brillouin zone, making its convergence problematic and time-consuming. The force…
We present analytic results for ground-state properties of Hubbard-type models in terms of the Gutzwiller variational wave function with non-zero values of the magnetization m. In dimension D=1 approximation-free evaluations are made…
Conformational energies of n-butane, n-pentane, and n-hexane have been calculated at the CCSD(T) level and at or near the basis set limit. Post-CCSD(T) contribution were considered and found to be unimportant. The data thus obtained were…
Steadily growing interest in magnetic characterization of organic compounds for therapeutic purposes or of other irregularly shaped specimens calls for refinements of experimental methodology to satisfy experimental challenges.…