Related papers: On the Kohn-Sham equations with periodic backgroun…
In this letter, by writing the volume as a function of coordinates of atoms, we present a new constant-pressure molecular dynamics method with parameters free. This method is specially appropriate for the finite system in which the periodic…
The density-functional approach to quantum electrodynamics is extending traditional density-functional theory and opens the possibility to describe electron-photon interactions in terms of effective Kohn-Sham potentials. In this work, we…
We prove a volume-uniform effective-Hamiltonian theorem for bounded finite-range quantum spin systems on possibly infinite lattices. For any finite target region, we construct an energy-truncated Hamiltonian and prove a volume-uniform…
We construct an approximate scheme based on the concept of the spontaneous symmetry breakdown, satisfying the Goldstone theorem, for finite volume Bose-Einstein condensed gases in both zero and finite temperature cases. In this paper, we…
We demonstrate how the separation of the total energy of a self-bound system into a functional of the internal one-body Fermionic density and a function of an arbitrary wave vector describing the center-of-mass kinetic energy can be used to…
In terms of initial data, a sufficient condition for the smoothness of the solution to the Cauchy problem for one-dimensional relativistic cold plasma equations over any given time interval is found. Unlike the non-relativistic case, such…
Solutions of the Friedmann-Lemaitre cosmological equations of general relativity have been found with finite-time singularities that are everywhere regular, have regular Hubble expansion rate, and obey the strong-energy conditions but…
In this paper we review the calculations that are needed to obtain the bosonic and fermionic effective potential at finite temperature and volume (at one loop). The calculations at finite volume correspond to $S^1\times R^d$ topology. These…
We present an alternative to the Kohn-Sham formulation of density functional theory for the ground-state properties of strongly interacting electronic systems. The idea is to start from the limit of zero kinetic energy and systematically…
A set of exactly solvable one-dimensional quantum mechanical potentials is described. It is defined by a finite-difference-differential equation generating in the limiting cases the Rosen-Morse, harmonic, and P\"oschl-Teller potentials.…
We consider globally hyperbolic spacetimes with compact Cauchy surfaces in a setting compatible with the presence of a positive cosmological constant. More specifically, for 3+1 dimensional spacetimes which satisfy the null energy condition…
This article generalizes the notion of the local density of a many-body system to introduce collective coordinates as explicit degrees of freedom. It is shown that the energy of the system can be expressed as a functional of this object.…
We derive the finite-volume correction to the binding energy of an N-particle quantum bound state in a cubic periodic volume. Our results are applicable to bound states with arbitrary composition and total angular momentum, and in any…
Given the time-evolution of an electron charge density, the local potential in Kohn-Sham time-dependent density functional theory (KS-TDDFT) can be modeled as a sum of instantaneous and dynamic contributions by assuming a certain form of…
One of the potential applications of a quantum computer is solving quantum chemical systems. It is known that one of the fastest ways to obtain somewhat accurate solutions classically is to use approximations of density functional theory.…
Uniqueness of the finite element solution for nonmonotone quasilinear problems of elliptic type is established in one and two dimensions. In each case, we prove a comparison theorem based on locally bounding the variation of the discrete…
We study conditional regularity for the compressible Navier-Stokes equations with potential temperature transport in a bounded domain $\Omega\subset\mathbb{R}^d$, $d\in\{2,3\}$, with no-slip boundary conditions. We first prove the existence…
The well-posedness of a system of partial differential equations and dynamic boundary conditions, both of Cahn-Hilliard type, is discussed. The existence of a weak solution and its continuous dependence on the data are proved using a…
Reducing the many-fermion problem to a set of single-particle (s.p.) equations, the Kohn-Sham (KS) theory has provided a practical tool to implement \textit{ab initio} calculations of ground-state energies and densities in many-electron…
A uniform derivation is presented of the self-consistent field equations in a finite basis set. Both restricted and unrestricted Hartree-Fock (HF) theory as well as various density functional (DF) approximations are considered. The unitary…