Related papers: Orbital-Free Quasi-Density Functional Theory
Using the quadrature bases that incorporate the spatiotemporal degrees of freedom, we develop a Wigner functional theory for quantum optics, as an extension of the Moyal formalism. Since the spatiotemporal quadrature bases span the complete…
In the context of phase-space quantization, matrix elements and observables result from integration of c-number functions over phase space, with Wigner functions serving as the quasi-probability measure. The complete sets of Wigner…
Forty-five years after the point de d\'epart [1] of density functional theory, its applications in chemistry and the study of electronic structures keep steadily growing. However, the precise form of the energy functional in terms of the…
A generalization of the Density Functional Theory is proposed. The theory developed leads to single-particle equations of motion with a quasi-local mean-field operator, which contains a quasi-particle position-dependent effective mass and a…
We showcase the advantages of orbital-free density-potential functional theory (DPFT), a more flexible variant of Hohenberg-Kohn density functional theory. DPFT resolves the usual trouble with the gradient-expanded kinetic energy functional…
Density-potential functional theory (DPFT) is an alternative formulation of orbital-free density functional theory that may be suitable for modeling the electronic structure of large systems. To date, DPFT has been applied mainly to quantum…
Wigner functions play a central role in the phase space formulation of quantum mechanics. Although closely related to classical Liouville densities, Wigner functions are not positive definite and may take negative values on subregions of…
The Wigner function of quantum systems is an effective instrument to construct the approximate classical description of the systems for which the classical approximation is possible. During the last time, the Wigner function formalism is…
Starting with the quasi-Bell states of the qubit-oscillator system, we obtain time evolution of the density matrix under the adiabatic approximation. The composite density matrix leads to, via partial tracing of the qubit degree of freedom,…
In this work we study the Wigner functions, which are the quantum analogues of the classical phase space density, and show how a full rigorous semiclassical scheme for all orders of \hbar can be constructed for them without referring to the…
We propose a Wigner quasiprobability distribution function for Hamiltonian systems in spaces of constant curvature --in this paper on hyperboloids--, which returns the correct marginals and has the covariance of the Shapiro functions under…
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…
The Weyl-Wigner representation of quantum mechanics allows one to map the density operator in a function in phase space - the Wigner function - which acts like a probability distribution. In the context of statistical mechanics, this…
We investigate the particle and kinetic-energy densities for $N$ non-interacting fermions confined in a local potential. Using Gutzwiller's semi-classical Green function, we describe the oscillating parts of the densities in terms of closed…
The presence of negative values in the Wigner quasiprobability distribution is deemed one of the hallmarks of nonclassical phenomena in quantum systems. Here we demonstrate a classical model of squeezed light that, when combined with…
In the density functional (DF) theory of Kohn and Sham, the kinetic energy of the ground state of a system of noninteracting electrons in a general external field is calculated using a set of orbitals. Orbital free methods attempt to…
Given a vector space of microscopic quantum observables, density functional theory is formulated on its dual space. A generalized Hohenberg-Kohn theorem and the existence of the universal energy functional in the dual space are proven. In…
We propose a phase-space representation concept in terms of the Wigner function for a quantum harmonic oscillator model that exhibits the semiconfinement effect through its mass varying with the position. The new method is used to compute…
The conventional Wigner function is inappropriate in a quantum field theory setting because, as a quasiprobability density over phase space, it is not manifestly Lorentz covariant. A manifestly relativistic variant is constructed as a…
The Wigner function for one and two-mode quantum systems is explicitely expressed in terms of the marginal distribution for the generic linearly transformed quadratures. Then, also the density operator of those systems is written in terms…