Related papers: Orbital magnetization and Chern number in a superc…
Chiral magnetism is a fascinating quantum phenomena that has been found in low-dimensional magnetic materials. It is not only interesting for understanding the concept of chirality, but also important for potential applications in…
A full-relativistic approach is used to compute the radius of the innermost stable circular orbit (ISCO), the Keplerian, frame-dragging, precession and oscillation frequencies of the radial and vertical motions of neutral test particles…
In systems with time-reversal symmetry, the orbital magnetization is zero in equilibrium. Recently, it has been proposed that the orbital magnetization can be induced by an electric current in a helical crystal structure in the same manner…
Orbital magnetization (OM) in Sierpinski carpet (SC) and triangle (ST) fractal is theoretically investigated by using Haldane model as a prototypical example. The OM calculation is performed following two distinct approaches; employing the…
The computation of magnetizability tensors using gauge-including atomic orbitals is discussed in the context of Cholesky decomposition for the two-electron repulsion integrals with a focus on the involved doubly differentiated integrals.…
Complex bands $\vec{k}^{\perp}(E)$ in a semiconductor crystal, along a general direction $\vec{n}$, can be computed by casting Schr\"odinger's equation as a generalized polynomial eigenvalue problem. When working with primitive lattice…
We report work towards a relativistic formulation for modeling strongly magnetized neutron stars, rotating or in a close circular orbit around another neutron star or black hole, under the approximations of helical symmetry and ideal MHD.…
We present a method for parametric modelling of the physical components of the Galaxy's magnetised interstellar medium, simulating the observables, and mapping out the likelihood space using a Markov Chain Monte-Carlo analysis. We then…
Using a quantum generalization of the Onsager principle of microscopic reversibility, the magnetization of a system in a non-equilibrium steady state quantum dot is formulated as a response of the interaction energy to an external field.…
Magnetoelectric responses are a fundamental characteristic of materials that break time-reversal and inversion symmetries (notably multiferroics) and, remarkably, of "topological insulators" in which those symmetries are unbroken. Previous…
Reparameterization from the standard set of orbital elements to Cartesian position-velocity vectors can be computationally advantageous for orbit inference problems, particularly when orbital elements are weakly constrained. Here we present…
We develop a six-band $\mathbf{k} \cdot \mathbf{p}$ model to describe the electronic structure and optical response of chiral multifold semimetals, such as RhSi. By means of invariants method we construct the effective Hamiltonian…
A simple orbit classification constraint extension to stellar dynamical modeling using Schwarzschild's method is demonstrated. The classification scheme used is the existing `orbit circularity' scheme (lambda_z) where orbits are split into…
Spatially localized one-electron orbitals, orthogonal and nonorthogonal, are widely used in electronic structure theory to describe chemical bonding and speed up calculations. In order to avoid linear dependencies of localized orbitals, the…
The modern expressions for polarization $\P$ and orbital magnetization $\M$ are $\k$-space integrals. But a genuine bulk property should also be expressible in $\r$-space, as unambiguous function of the ground-state density matrix,…
Membrane locking in finite element approximations of thin beams and shells has remained an unresolved topic despite four decades of research. In this article, we utilize Fourier analysis of the complete spectrum of natural vibrations and…
We argue that ferromagnetic transition metal nanoparticles with fewer than approximately 100 atoms can be described by an effective Hamiltonian with a single giant spin degree of freedom. The total spin $S$ of the effective Hamiltonian is…
Quantifying correlation and entanglement between molecular orbitals can elucidate the role of quantum effects in strongly correlated reaction processes. However, accurately storing the wavefunction for a classical computation of those…
Building upon the efficient implementation of hybrid density functionals (HDFs) for large-scale periodic systems within the framework of numerical atomic orbital bases using the localized resolution of identity (RI) technique, we have…
We present reversible magnetization measurements on MgB2 single crystals in magnetic fields up to 2.5 T applied parallel to the crystal's c-axis. This magnetization is analyzed in terms of the Hao-Clem model, and various superconducting…