相关论文: Maximally valent orbitals in systems with non-idea…
A spin-orbital superexchange Hamiltonian in a Mott insulator with $t_{2g}$ orbital degeneracy is investigated. More specifically, we focus on a spin ferromagnetic state of the model and study a collective behavior of orbital angular…
We propose an alternative to the usual time--independent Born--Oppenheimer approximation that is specifically designed to describe molecules with non--symmetrical hydrogen bonds. In our approach, the masses of the hydrogen nuclei are scaled…
The presence of spin-orbit coupling or non-collinear magnetic spin states can have dramatic effects on the ground-state and spectral properties of materials, in particular on the band structure. Here, we develop non-collinear…
High order terms in the electromagnetic multipole development expose a stabilizing mechanism for the atomic orbitals in the presence of the ZPF-background. Boyer and Puthoff set forward the idea that for the Bohr orbits in the hydrogen…
Physicists have argued that periodic orbit bunching leads to universal spectral fluctuations for chaotic quantum systems. To establish a more detailed mathematical understanding of this fact, it is first necessary to look more closely at…
In this paper we introduce an algorithm for determining the orbital elements and individual masses of visual binaries. The algorithm uses an optimal point, which minimizes a specific function describing the average length between the…
Non-local correlations between a fully characterised quantum system and an untrusted black box device are described by an assemblage of conditional quantum states. These assemblages form a convex set, whose extremal points are relevant in…
The theory of correlated electron systems is formulated in a form which allows to use as a reference point an ab initio band structure theory (AIBST). The theory is constructed in two steps. As a first step the total Hamiltonian is…
Relativistic correction to the Coulomb interaction is considered for strongly correlated electron orbitals. The atomic representation of the Coulomb-Breit interaction and its physical origin are clarified, to generalize a concept of the…
We perform a systematic exact diagonalization study of spin-orbit coupling effects for stationary few-electron states confined in quasi two-dimensional double quantum dots. We describe the spin-orbit-interaction induced coupling between…
We demonstrate that nontrivial multiband topological invariants of electronic wavefunctions can be revealed through orbital magnetization responses to external magnetic fields. We find that decomposing orbital magnetization into energetic…
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…
The mutual compatibility of the dynamical equations and constraints describing a massive particle of arbitrary spin, though essential for consistency, is generically lost in the presence of interactions. The conventional Lagrangian approach…
Using muffin-tin orbital (MTO) based NMTO-downfolding procedure within the framework of local density approximation, we construct the Wannier orbitals for the $t_{2g}$ manifold of bands in V2O3 in the paramagnetic phase. The real space…
It is shown that the Schr\"{o}dinger equation for a system of interacting particles whose Compton wavelengths are of the same order of magnitude as the system size is contradictory and is not strictly nonrelativistic, because it is based on…
A one-dimensional cluster model with next-nearest-neighbor interactions and two additional composite interactions is solved; the free energy is obtained and a correlation function is derived exactly. The model is diagonalized by a…
We study the role of hopping matrix elements of the position operator $\mathbf{\hat{r}}$ in tight-binding calculations of linear and nonlinear optical properties of solids. Our analysis relies on a Wannier-interpolation scheme based on…
We introduce an algebraic measure of correlations in bipartite quantum systems. The proposed quantity, called maximal mutual correlation, provides the information how much a given state differs from the product state of its marginals. In…
Microscopic models of electronic subsystems with orbital degeneracy of energy states and non-diagonal matrix elements of electron interactions (correlated hopping) are considered within the configuration-operator approach. Equations for…
We present a study of the structural properties of the crystalline phases for a planar bilayer of particles interacting via repulsive Yukawa potentials in the weak screening region. The study is done with Monte Carlo computations and the…