Related papers: Construction of Wannier Functions in Disordered Sy…
A general procedure based on shift operators is formulated to deal with anharmonic potentials. It is possible to extract the ground state energy analytically using our method provided certain consistency relations are satisfied. Analytic…
The maximally localized Wannier functions play a very important role in the study of chemical bonding, ballistic transport and strongly-correlated system, etc. A significant development in this branch was made in 1997 and conjectured that…
Ab initio wavefunction based methods are applied to the study of electron correlation effects on the band structure of oxide systems. We choose MgO as a prototype closed-shell ionic oxide. Our analysis is based on a local Hamiltonian…
We propose a simple and straightforward method based on Wronskians for the calculation of bound--state energies and wavefunctions of one--dimensional quantum--mechanical problems. We explicitly discuss the asymptotic behavior of the…
In the papers dealing with derivation and applications of operational matrices of Bernstein polynomials, a basis transformation, commonly a transformation to power basis, is used. The main disadvantage of this method is that the…
A method to separate a Slater determinant wave function with a two-center neck structure into spatially localized subsystems is proposed, and its potential applications are presented. An orthonormal set of spatially localized…
Using a collective coordinate numerical optimization procedure, we construct ground-state configurations of interacting particle systems in various space dimensions so that the scattering of radiation exactly matches a prescribed pattern…
The restoration of particle number within Energy Density Functional theory is analyzed. It is shown that the standard method based on configuration mixing leads to a functional of both the projected and non-projected densities. As an…
We construct a Wannier basis for twisted bilayer graphene that is projected only from the Bloch functions of the twisted bilayer flat bands. The $C_3$ and $C_{2} \mathcal{T}$ symmetries act locally on the Wannier functions while the Wannier…
We study the performance of permanent states (the bosonic counterpart of the Slater determinant state) as approximating functions for bosons, with the intention to develop variational methods based upon them. For a system of $N$ identical…
In this article we introduce a quasiprobability distribution of work that is based on the Wigner function. This construction rests on the idea that the work done on an isolated system can be coherently measured by coupling the system to a…
We show that if the Wigner function of a (possibly mixed) quantum state decays toward infinity faster than any polynomial in the phase space variables $x$ and $p$, then so do all of its derivatives, i.e., it is a Schwartz function on phase…
A brief description of the relations between the factorization method in quantum mechanics, self-similar potentials, integrable systems and the theory of special functions is given. New coherent states of the harmonic oscillator related to…
For the one-dimensional, extended Peierls--Hubbard model we calculate analytically the ground-state energy and the single-particle gap to second order in the Coulomb interaction for a given lattice dimerization. The comparison with…
We introduce a Wannier-type formulation of periodic local vibrational mode theory that yields real-space-localized vibrational modes associated with individual internal coordinates in crystalline solids. These modes are constructed as…
Following an approach based on generating function method phase space characteristics of Landau system are studied in the autonomous framework of deformation quantization. Coherent state property of generating functions is established and…
We establish a first-principles theory of vacuum Wannier functions unifying tight-binding and nearly-free-electron descriptions across solid-vacuum interfaces. Analytic solutions for canonical Wannier functions in arbitrary dimension and…
The phase of the electronic wave function is not directly measurable but, quite remarkably, it becomes accessible in pairs of isospectral shapes, as recently proposed in the experiment of Christopher R. Moon {\it et al.}, Science {\bf 319},…
A mechanism to modify the energy band structure is proposed by considering a chain of periodic scatterers forming a linear lattice around which an external cylindrical trapping potential is applied along the chain axis. When this trapping…
It is the purpose of the present article to show that so-called network models, originally designed to describe static properties of disordered electronic systems, can be easily generalized to quantum-{\em dynamical} models, which then…