Related papers: Breakdown of broken-symmetry approach to exchange …
We derive ab inito exchange parameters for general non-collinear magnetic configurations, in terms of a multiple scattering formalism. We show that the general exchange formula has an anisotropic-like term even in the absence of spin-orbit…
We propose a technique of compensating the spurious reflections implied by the multiple-scattering (MS) method, commonly used for analyzing finite photonic crystal (PC) systems, to obtain exact values of characteristic parameters, such as…
This paper presents a tractable model for analyzing non-coherent joint transmission base station (BS) cooperation, taking into account the irregular BS deployment typically encountered in practice. Besides cellular-network specific aspects…
We extend our recently developed sparse-stochastic fragmented exchange formalism for ground-state hybrid DFT (ngH-DFT) to calculate absorption spectra within linear-response time-dependent Generalized Kohn-Sham DFT (LR-GKS-TDDFT), for…
Strongly correlated systems have long been a central and highly non-trivial topic in condensed matter physics. At the non-interacting level, strong correlation can be associated with powerful (near) degeneracies between occupied and…
Diffuse atomic orbital basis sets have proven to be essential to obtain accurate interaction energies, especially in regard to non-covalent interactions. However, they also have a detrimental impact on the sparsity of the one-particle…
We developed a micromagnetic method for modeling magnetic systems with periodic boundary conditions along an arbitrary number of dimensions. The main feature is an adaptation of the Ewald summation technique for evaluation of long-range…
We consider the self-evolution of strongly non-equilibrium interacting Bose gas. Due to the mere fact of large (as compared to unity) occupation numbers in the initial state the problem is directly reduced to the question of temporal…
The Dzyaloshinskii-Moriya (DM) interaction, as well as symmetric anisotropic exchange, are important ingredients for stabilizing topologically non-trivial magnetic textures, such as, e.g., skyrmions, merons and hopfions. These types of…
The double exchange model describing interactions of itinerant electrons with localized spins is usually used to explain ferromagnetism in metals. We show that for a variety of crystal lattices of different dimensionalities and for a wide…
Density functional theory augmented with Hubbard-$U$ corrections (DFT+$U$) is currently one of the widely used methods for first-principles electronic structure modeling of insulating transition metal oxides (TMOs). Since $U$ is relatively…
Understanding the quantum dynamics of spin defects and their coherence properties requires accurate modeling of spin-spin interaction in solids and molecules, for example by using spin Hamiltonians with parameters obtained from…
We develop an efficient approach to evaluate range-separated exact exchange for grid or plane-wave based representations within the Generalized Kohn-Sham DFT (GKS-DFT) framework. The Coulomb kernel is fragmented in reciprocal space, and we…
Magnetic materials are typically described in terms of the Heisenberg model, which provides an accurate account of thermodynamic properties when combined with first principles calculations. This approach is usually based on an energy…
We study the spontaneous symmetry breaking of dipolar Bose--Einstein condensates trapped in stacks of two-well systems, which may be effectively built as one-dimensional trapping lattices sliced by a repelling laser sheet. If the potential…
Within the reduced basis methods approach, an effective low-dimensional subspace of a quantum many-body Hilbert space is constructed in order to investigate, e.g., the ground-state phase diagram. The basis of this subspace is built from…
In this article we study the symmetry breaking phenomenon of solutions of noncooperative elliptic systems. We apply the degree for G-invariant strongly indefinite functionals to obtain simultaneously a symmetry breaking and a global…
Recently [Phys. Rev. Lett. {\bf 106}, 093902 (2011)] it has been shown that $\mathcal{PT}$-symmetric scattering systems with balanced gain and loss, undergo a transition from $\mathcal{PT}$-symmetric scattering eigenstates, which are norm…
The Interacting Boson plus broken-pairs Model has been used to describe high-spin bands in spherical and transitional nuclei. In the spherical nucleus $^{104}$Cd the model reproduces the structure of high-spin bands built on a vibrational…
Geometric frustration among competing spin exchanges can give rise to novel quantum phases by enhancing fluctuations that drive magnetic systems beyond the classical regime. We investigate the frustrated array of strongly correlated spin…