Related papers: Orbital-Free Quasi-Density Functional Theory
Local density approximation (LDA) to the density functional theory (DFT) has continuous derivative of total energy as a number of electrons function and continuous exchange-correlation potential, while in exact DFT both should be…
A unification of the set of quasiprobability representations using the mathematical theory of frames was recently developed for quantum systems with finite-dimensional Hilbert spaces, in which it was proven that such representations require…
The framework of Wigner functions for the canonical pair angle and orbital angular momentum, derived and analyzed in 2 recent papers [H. A. Kastrup, Phys.Rev. A 94, 062113(2016) and Phys.Rev. A 95, 052111(2017)] is applied to elementary…
The integral of the Wigner function of a quantum mechanical system over a region or its boundary in the classical phase plane, is called a quasiprobability integral. Unlike a true probability integral, its value may lie outside the interval…
The principles of density-functional theory are studied for finite lattice systems represented by graphs. Surprisingly, the fundamental Hohenberg-Kohn theorem is found void in general, while many insights into the topological structure of…
Accurate description of deformed atomic nuclei by the orbital-free density functional theory has been a longstanding textbook challenge, due to the difficulty in accounting for the intricate quantum shell effects that are present in such…
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…
The average-density approximation is used to construct a nonlocal kinetic energy functional for an inhomogeneous two-dimensional Fermi gas. This functional is then used to formulate a Thomas-Fermi von Weizs\"acker-like theory for the…
We consider the Wigner equation corresponding to a nonlinear Schroedinger evolution of the Hartree type in the semiclassical limit $\hbar\to 0$. Under appropriate assumptions on the initial data and the interaction potential, we show that…
For quantum systems with two dimensional configuration space we construct a physical radial momentum observable. Rescaling the radius we find the dilatonic degrees of freedom form a Weyl algebra. With this we construct the radial Wigner…
A rigorous microscopic theory for the description of quantum-transport phenomena in systems with open boundaries is proposed. We shall show that the application of the conventional Wigner-function formalism to this problem leads to…
In this paper we revisit the Levy-Perdew-Sahni equation. We establish that the relation implicitly contains the conservation of energy density at every point of the system. The separate contributions to the total energy density are…
In orbital-free density functional theory the kinetic potential (KP), the functional derivative of the kinetic energy density functional, appears in the Euler equation for the electron density and may be more amenable to simple…
We present an ``orbital'' free density functional theory for computing the quantum ground state of atomic clusters and liquids. Our approach combines the Bohm hydrodynamical description of quantum mechanics with an information theoretical…
The Wigner function was introduced as an attempt to describe quantum-mechanical fields with the tools inherited from classical statistical mechanics. In particular, it is widely used to describe the properties of radiation fields. In fact,…
We develop a semi-classical approximation for the scar function in the Weyl-Wigner representation in the neighborhood of a classically unstable periodic orbit of chaotic two dimensional systems. The prediction of hyperbolic fringes,…
Phase space reflection operators lie at the core of the Wigner-Weyl representation of density operators and observables. The role of the corresponding classical reflections is known in the construction of semiclassical approximations to…
The Wigner function is a phase space quasi-probability distribution whose negative regions provide a direct, local signature of nonclassicality. To identify where phase-sensitive structure concentrates, we introduce local positive- and…
A conceptual difficulty in formulating the density functional theory of the fractional quantum Hall effect is that while in the standard approach the Kohn-Sham orbitals are either fully occupied or unoccupied, the physics of the fractional…
Using the Wigner-Vlasov formalism, an exact 3D solution of the Schr\"odinger equation for a scalar particle in an electromagnetic field is constructed. Electric and magnetic fields are non-uniform. According to the exact expression for the…