Related papers: Orthogonal localized wave functions of an electron…
One-particle eigenstates and eigenvalues of two-dimensional electrons in the strong magnetic field with short range impurity and impurities, cosine potential, boundary potential, and periodic array of short range potentials are obtained by…
We report an infinite number of orthonormal wave functions bases for the quantum problem of a free particle in presence of an applied external magnetic field. Each set of orthonormal wave functions (basis) is labeled by an integer $p$,…
The problem of a single electron in a magnetic field is revisited from first principles. It is shown that the standard quantization, used by Landau, is inconsistent for this problem, whence Landau's wave functions spontaneously break the…
An electron moving on plane in a uniform magnetic field orthogonal to plane is known as the Landau problem. Wigner functions for the Landau problem when the plane is noncommutative are found employing solutions of the Schroedinger equation…
Working in the Wannier representation, we derive an expression for the orbital magnetization of a periodic insulator. The magnetization is shown to be comprised of two contributions, an obvious one associated with the internal circulation…
A basis set expansion is performed to find the eigenvalues and wave functions for an electron on a toroidal surface $T^2$ subject to a constant magnetic field in an arbitrary direction. The evolution of several low-lying states as a…
We consider the applicability of phase space Wannier functions" to electronic structure calculations. These generalized Wannier functions are analogous to localized plane waves and constitute a complete, orthonormal set which is…
The construction of Wannier functions from Bloch orbitals offers a unitary freedom that can be exploited to yield Wannier functions with advantageous properties. Minimizing the spatial variance is a well-known choice; another, previously…
In the paper, properties of orbit functions are reviewed and further developed. Orbit functions on the Euclidean space $E_n$ are symmetrized exponential functions. The symmetrization is fulfilled by a Weyl group corresponding to a…
This paper extends earlier work on the definition of Wannier functions for Bloch electrons in a magnetic field. Extensions to irrational as well as rational magnetic fields are defined, and their properties investigated. The results are…
Functionals that strive to correct for such self-interaction errors, such as those obtained by imposing the Perdew-Zunger self-interaction correction or the generalized Koopmans' condition, become orbital dependent or orbital-density…
We propose a new relativistic Lorentz-invariant spin-noncommutative algebra. Using the Weyl ordering of noncommutative position operators, we build an analogue of the Moyal-Groenewald product for the proposed algebra. The Lagrange function…
We analyze the magnetic form factor of Cu$^{2+}$ in low-dimensional quantum magnets by taking the metal-ligand hybridization into account explicitly. In this analysis we use the form of magnetic Wannier orbitals, derived from the…
A method is proposed to find the wave function of an electron moving infinitely in the field of an arbitrary 1D layer structure with two different homogeneous semi-infinite boundaries. It is shown that in general the problem reduces to…
We found that the two-dimensional Schr\"odinger equation for 3 electrons in an homogeneous magnetic field (perpendicular to the plane) and a parabolic scalar confinement potential (frequency $\omega_0$) has exact analytical solutions in the…
The insulating state of matter is characterized by the excitation spectrum, but also by qualitative features of the electronic ground state. The insulating ground wavefunction in fact: (i) sustains macroscopic polarization, and (ii) is…
Since the seminal work of Marzari and Vanderbilt, maximally localized Wannier functions have become widely used as a real-space representation of the electronic structure of periodic materials. In this paper we introduce selectively…
In this paper we present calculations on the electronic band structure of a two-dimensional lateral superlattice subject to a perpendicular magnetic field by employing a projection operator technique based on the ray-group of…
The Hartree-Fock-Rothaan equations are solved for He-like ions using the iterative self-consistent method. New complete and orthonormal sets of exponential-type orbitals are employed as the basis. These orbitals satisfy the orthonormality…
We present a robust algorithm that computes (maximally localized) Wannier functions (WFs) without the need of providing an initial guess. Instead, a suitable starting point is constructed automatically from so-called local orbitals which…