Related papers: Orbital-Free Quasi-Density Functional Theory
The formation and migration energies for various point defects, including vacancies and self-interstitials in aluminum are reinvestigated systematically using the supercell approximation in the framework of orbital-free density functional…
Density functional theory constitutes the workhorse of modern electronic structure calculations due to its favourable computational cost despite the fact that it usually fails to describe strongly correlated systems. A particularly…
There are several physically motivated density matrix functionals in the literature, built from the knowledge of the natural orbitals and the occupation numbers of the one-body reduced density matrix. With the help of the equivalent…
Using the formalism of generalized fractional derivatives, a two-dimensional non-relativistic meson system is studied. The mesons are interacting by a Cornell potential. The system is formulated in the domain of the symplectic quantum…
We demonstrate the reconstruction of the Wigner function from marginal distributions of the motion of a single trapped particle using homodyne detection. We show that it is possible to generate quantum states of levitated optomechanical…
Orbital-free Density Functional Theory (OF-DFT) has been used when studying atoms, molecules and solids. In nuclear physics, there has been basically no application of OF-DFT so far, as the Density Functional Theory (DFT) has been widely…
Cahill-Glauber C(s)-correspondence is employed to construct Quasi-Probability Distribution Functions (QPDFs) for optical-polarization in phase space following equivalent description of polarization in Classical Optics. The proposed scheme…
Quantum dots with conduction electrons or holes originating from several bands are considered. We assume the particles are confined in a harmonic potential and assume the electrons (or holes) belonging to different bands to be different…
We propose a density functional to find the ground state energy and density of interacting particles, where both the density and the pair density can adjust in the presence of an inhomogeneous potential. As a proof of principle we formulate…
We study the Wigner function for massive spin-1/2 fermions in electromagnetic fields. Dirac form kinetic equation and Klein-Gordon form kinetic equation are obtained for the Wigner function, which are derived from the Dirac equation. The…
We present a construction of the Wigner function for a bosonic quantum field theory that has well-defined ultraviolet (UV) and infrared (IR) properties. Our construction uses the local mode formalism in algebraic quantum field theory that…
We calculate the Wigner function for massive spin-1/2 particles in an inhomogeneous electromagnetic field to leading order in the Planck constant $\hbar$. Going beyond leading order in $\hbar$ we then derive a generalized Boltzmann equation…
The Wigner function plays a central role in QCD as a phase space object encoding correlations among quarks, antiquarks, and gluons, yet its interpretation remains subtle due to its quasiprobabilistic nature and possible negativity. Recent…
Starting from the Pauli Hamiltonian operator, we derive a scalar quantum kinetic equations for spin-1/2 systems. Here the regular Wigner two-state matrix is replaced by a scalar distribution function in extended phase space. Apart from…
The exact reduced density-matrix functional is derived from the Luttinger-Ward functional of the single-particle Green's function. Thereby, a formal link is provided between diagrammatic many-body approaches using Green's functions on the…
A density-functional theory is developed based on the Maxwell--Schr\"odinger equation with an internal magnetic field in addition to the external electromagnetic potentials. The basic variables of this theory are the electron density and…
We introduce an energy functional for ground-state electronic structure calculations. Its variables are the natural spin-orbitals of singlet many-body wave functions and their joint occupation probabilities deriving from controlled…
We derive the Wigner functions of polarized photons in the Coulomb gauge with the $\hbar$ expansion applied to quantum field theory, and identify side-jump effects for massless photons. We also discuss the photonic chiral vortical effect…
An $\hbar$-expansion is presented for the ensemble-averaged spectral function of noninteracting matter waves in random potentials. We obtain the leading quantum corrections to the deep classical limit at high energies by the Wigner-Weyl…
In this paper, a gradient flow model is proposed for conducting ground state calculations in Wigner formalism of many-body system in the framework of density functional theory. More specifically, an energy functional for the ground state in…