Related papers: Phase Space Wannier Functions in Electronic Struct…
We present a detailed discussion of a general theory of phase-space distributions, introduced recently by the authors [J. Phys. A {\bf 31}, L9 (1998)]. This theory provides a unified phase-space formulation of quantum mechanics for physical…
The Wigner function of the compass state (a superposition of four coherent states) develops phase-space structures of dimension much less than the Planck scale, which are crucial in determining the sensitivity of these states to phase-space…
We introduce highly local basis sets for electronic structure which are very efficient for correlation calculations near the complete basis set limit. Our approach is based on gausslets, recently introduced wavelet-like smooth orthogonal…
The Wigner functions on the one dimensional lattice are studied. Contrary to the previous claim in literature, Wigner functions exist on the lattice with any number of sites, whether it is even or odd. There are infinitely many solutions…
The ground state at 4/11 filling factor is very well understood [Phys. Rev. Lett. 112, 016801 (2014)] in terms of the 1/3 filled second effective Landau level of the composite fermions whose correlations resemble with that of electrons in…
A phase space formulation of the filtering process upon an incident quantum state is developed. This formulation can explain the results of both quantum interference and delayed-choice experiments without making use of the controversial…
Classical surfaces in phase space correspond to quantum states in Hilbert space. Subsystems specify factor spaces of the Hilbert space. An entangled state corresponds semiclassically to a surface that cannot be decomposed into a product of…
We introduce a quantum phase space representation for the orientation state of extended quantum objects, using the Euler angles and their conjugate momenta as phase space coordinates. It exhibits the same properties as the standard Wigner…
We study the Wigner function for a quantum system with a discrete, infinite dimensional Hilbert space, such as a spinless particle moving on a one dimensional infinite lattice. We discuss the peculiarities of this scenario and of the…
Systems built out of N-body interactions, beyond 2-body interactions, are formulated on the plane, and investigated classically and quantum mechanically (in phase space). Their Wigner Functions--the density matrices in phase-space…
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 $p$,…
An efficient numerical quadrature is proposed for the approximate calculation of the potential energy in the context of pseudo potential electronic structure calculations with Daubechies wavelet and scaling function basis sets. Our…
A discussion of discrete Wigner functions in phase space related to mutually unbiased bases is presented. This approach requires mathematical assumptions which limits it to systems with density matrices defined on complex Hilbert spaces of…
The most general way to describe localized atomic-like electronic states in strongly correlated compounds is to utilize Wannier functions. In the present paper we continue the development of widely-spread DFT+U method onto Wannier function…
We have constructed maximally-localized Wannier functions for prototype structures of solid molecular hydrogen under pressure, starting from LDA and tight-binding Bloch wave functions. Each occupied Wannier function can be associated with…
A recently proposed approach for performing electronic-structure calculations on crystalline insulators in terms of localized orthogonal orbitals is applied to the oxides of lithium and sodium, Li2O and Na2O. Cohesive energies, lattice…
The method used earlier for analysis of correlated nanoscopic systems is extended to infinite (periodic) s-band like systems described by the Hubbard model and its extensions. The optimized single-particle wave functions contained in the…
We present a systematic method for deriving partial-wave unitarity bounds on Wilson coefficients of higher-dimensional operators in effective field theories involving more than four fields, which naturally appear in tree-level 2-to-$N$…
We present a technique for partitioning the total energy from a semi-local density functional theory calculation into contributions from individual electronic states in a localized Wannier basis. We use our technique to reveal the key role…
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…