Related papers: The Hohenberg-Kohn Theorem for Schrodinger Semigro…
Exact analytic solutions to the Schr\"odinger equation for an electron moving in three dimensional potentials have been studied. These solutions can correspond to metals, semiconductors, or insulators. We show that there is an efficient…
We prove that the electron density function of a real physical system can be uniquely determined by its values on any finite subsystem. This establishes the existence of a rigorous density-functional theory for any open electronic system.…
A striking consequence of the Hohenberg-Kohn theorem of density functional theory is the existence of a bijection between the local density and the ground-state many-body wave function. Here we study the problem of constructing…
Kernel Estimation provides an unbinned and non-parametric estimate of the probability density function from which a set of data is drawn. In the first section, after a brief discussion on parametric and non-parametric methods, the theory of…
We review the prediction of fission properties of super-heavy elements (SHE) by self-consistent mean-field models thereby concentrating on the widely used Skyrme-Hartree-Fock (SHF) approach. We explain briefly the theoretical tools: the SHF…
Density functional theory is currently the most widely applied method in electronic structure theory. The Kohn-Sham method, based on a fictitious system of non-interacting particles, is the work horse of the theory. The particular form of…
The density of states for the Schroedinger equation with a Gaussian random potential is calculated in a space of dimension d=4-epsilon in the entire energy range including the vicinity of a mobility edge. Leading terms in 1/epsilon are…
Exploratory variational pseudopotential density functional calculations are performed for the electronic properties of many-electron systems in the 3D cartesian coordinate grid (CCG). The atom-centered localized gaussian basis set,…
Properties of inhomogeneous nuclear matter are evaluated within a relativistic mean field approximation using density dependent coupling constants. A parameterization for these coupling constants is presented, which reproduces the…
We present the first successful functional renormalization group(FRG)-aided density-functional (DFT) calculation of the equation of state (EOS) of an infinite nuclear matter (NM) in (1+1)-dimensions composed of spinless nucleons. We give a…
This note describes five subjects of some interest for the density functional theory in nuclear physics. These are, respectively, i) the need for concave functionals, ii) the nature of the Kohn-Sham potential for the radial density theory,…
The Gordian knot of density-functional theories for classical molecular liquids remains finding an accurate free-energy functional in terms of the densities of the atomic sites of the molecules. Following Kohn and Sham, we show how to solve…
We prove Hohenberg-Kohn theorems for several models of quantum mechanics. First, we show that the pair correlation function of any ground state contains the information of the interactions and of the external potentials. Then, in the…
The one particle quantum mechanics is considered in the frame of a N-body classical kinetics in the phase space. Within this framework, the scenario of a subquantum structure for the quantum particle, emerges naturally, providing an…
Density functional theory provides the most widespread framework for the realistic description of the electronic structure of solids, but the description of strongly-correlated systems has remained so far elusive. Here we consider a…
In this paper, we show that the ground-state density of any non-interacting Schr\"odinger operator on the one-dimensional torus with potentials in a certain class of distributions is strictly positive. This result together with recent…
The density functional theory is used to study the electronic structure of a quantum wire in a magnetic field. The Kohn-Sham equations are solved numerically for different values of electron densities and filling factors. The critical…
An effective nucleon-nucleon interaction calculated in nuclear matter from the Bonn potential has been parametrized in terms of a local density- and energy-dependent two-body interaction. This allows to calculate the real part of the…
We present new ab initio calculations of the electronic structure of various atoms and molecules in strong magnetic fields ranging from B=10^12 G to 2x10^15 G, appropriate for radio pulsars and magnetars. For these field strengths, the…
This paper focuses on the complex relationship between Heisenberg's Uncertainty Principle and the nodal structure of wave functions in a variety of quantum systems including the quantum harmonic oscillator, the particle in a 1D box , and…