Related papers: First-Principles Calculations at Constant Polariza…
We describe a method for computing the response of an insulator to a static, homogeneous electric field. It consists of iteratively minimizing an electric enthalpy functional expressed in terms of occupied Bloch-like states on a uniform…
We show that the inclusion of a recently found additional term of the spin polarization vector at local equilibrium which is linear in the symmetrized gradients of the velocity field, and the assumption of hadron production at constant…
There is currently a paradigm shift in several power system monitoring applications, such as incipient fault detection and monitoring inverter-based resources, to transition from traditional phasor analytics to more informative waveform…
We present details of our effective computational methods based on the real-space finite-difference formalism to elucidate electronic and magnetic properties of the two-dimensional (2D) materials within the framework of the density…
We propose a nonperturbative scheme for the calculation of thermal damping-rates using exact renormalization group (RG)-equations. Special emphasis is put on the thermal RG where first results for the rate were given in M. Pietroni, Phys.…
This paper is devoted to the primary spectro-polarimetric observation performed at the New Vacuum Solar Telescope of China since 2017, and our aim is to precisely evaluate the real polarimetric accuracy and sensitivity of this polarimetry…
This paper reports the first simultaneous measurement of the horizontal and vertical components of the polarization vector in a storage ring under the influence of a radio frequency (rf) solenoid. The experiments were performed at the…
Using the expansion of Zubarev's density operator, we develop a linear response approach to study various spin physics in a locally equilibrated medium, particularly focusing on various polarization phenomena in heavy-ion collisions.…
Separation of variables (SoV) is an extremely efficient and elegant technique for analysing physical systems but its application to integrable spin chains was limited until recently to the simplest su(2) cases. In this paper we continue…
We develop a first-principles scheme to study ferroelectric phase transitions for perovskite compounds. We obtain an effective Hamiltonian which is fully specified by first-principles ultra-soft pseudopotential calculations. This approach…
The structures of the superconducting spin valve (SSV) Fe/Si$_3$N$_4$/Pb/Si$_3$N$_4$/Fe (where Si$_3$N$_4$ is a dielectric insulating layer of controlled thickness) were investigated. The dependence of the magnitude of the SSV effect on the…
The paper is concerned with the mathematical theory and numerical approximation of systems of partial differential equations (pde) of hyperbolic, pseudo-parabolic type. Some mathematical properties of the initial-boundary-value problem…
A model of dynamic orientation using optimized radiofrequency (RF) irradiation produced perpendicular to the holding field is developed for the spin-1 system required for tensor-polarized fixed-target experiments. The derivation applies to…
X-ray pulse-profile modeling of millisecond pulsars offers a direct route to measuring neutron star masses and radii, thereby constraining the dense-matter equation of state. However, standard analyses typically rely on \emph{ad hoc}…
We consider a linear second order parabolic system with a third order dispersion term. This type of system arises when considering a nonlinear model equation describing the motion of a vortex filament with axial flow immersed in an…
We introduce an automated, flexible framework (aiida-hubbard) to self-consistently calculate Hubbard $U$ and $V$ parameters from first-principles. By leveraging density-functional perturbation theory, the computation of the Hubbard…
This paper presents a one-dimensional analog of the Rectangular-Polar (RP) integration strategy and its convergence analysis for weakly singular convolution integrals. The key idea of this method is to break the whole integral into integral…
The locally self-consistent multiple scattering (LSMS) method can perform efficient first-principles calculations of systems with large number of atoms. In this work, we combine the Kubo-Greenwood equation with LSMS, enabling us to…
In order for methods combining ab initio density-functional theory and many-body techniques to become routinely used, a flexible, fast, and easy-to-use implementation is crucial. We present an implementation of a general charge…
We present a simple formalism for the calculation of the derivatives of the electronic density matrix at any order, within density functional theory. Our approach, contrary to previous ones, is not based on the perturbative expansion of the…