相关论文: On the Necessary Conditions for the Validity of th…

We analyze free energy functionals for macroscopic models of multi-agent systems interacting via pairwise attractive forces and localized repulsion. The repulsion at the level of the continuous description is modeled by pressure-related…

We present a rigorous formulation of generalized Kohn-Sham density-functional theory. This provides a straightforward Kohn-Sham description of many-body systems based not only on particle-density but also on any other observable. We…

The rich and diverse dynamics of particle-based systems ultimately originates from the coupling of their degrees of freedom via internal interactions. To arrive at a tractable approximation of such many-body problems, coarse-graining is…

It has long been postulated that within density-functional theory (DFT) the total energy of a finite electronic system is convex with respect to electron count, so that 2 E_v[N_0] <= E_v[N_0 - 1] + E_v[N_0 + 1]. Using the…

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.…

In this work we investigate the matrix elements of the energy-momentum tensor for massless on-shell states in four-dimensional unitary, local, and Poincar\'e covariant quantum field theories. We demonstrate that these matrix elements can be…

Typical density functional theory (DFT) and approximations thereto solve the many-electron ground state problem by working from a numerically efficient non-interacting Kohn-Sham reference system; and benefit from useful minimization…

We show that under well-defined conditions the Hohenberg-Kohn theorem (HKT) can be extended to the lowest-energy resonance of unbound systems. Using the Gel'fand Levitan theorem, the extended version of the HKT can also be applied to…

Electron density and electron momentum density, while independently tractable experimentally, bear no direct connection without going through the many-electron wave function. However, invoking a variant of the constrained-search formulation…

The Hahn-Banach Theorem, a cornerstone of modern functional analysis, is a natural companion of the Second Law of Thermodynamics. From a Kelvin-Planck version of the Second Law, the Hahn-Banach Theorem delivers, immediately and…

The phase-field system is a nonlinear model that has significant applications in material sciences. In this paper, we are concerned with the uniqueness of determining the nonlinear energy potential in a phase-field system consisting of…

In this work we study in a formal way the density dependent hadron field theory at finite temperature for nuclear matter. The thermodynamical potential and related quantities, as energy density and pressure are derived in two different…

An approximation-free, numerically efficient algorithm is presented for the Hamiltonian eigen-states of the Stark-Hydrogen problem describing a quantum particle exposed to the central Coulomb force and a homogeneous external field. As an…

Uncertainty relation for photons that overcomes the difficulties caused by the nonexistence of the photon position operator is derived in quantum electrodynamics. The photon energy density plays the role of the probability density in…

The properties of high-density nuclear and neutron matter are studied using a relativistic mean-field approximation to the nuclear matter energy functional. Based on ideas of effective field theory, nonlinear interactions between the fields…

In this chapter we first review the Levy-Lieb functional, which gives the lowest kinetic and interaction energy that can be reached with all possible quantum states having a given density. We discuss two possible convex generalizations 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 review the progress that has been recently made in the application of time-dependent density functional theory to thermoelectric phenomena. As the field is very young, we emphasize open problems and fundamental issues. We begin by…

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…

The key questions of uniqueness and existence in time-dependent density functional theory are usually formulated only for potentials and densities that are analytic in time. Simple examples, standard in quantum mechanics, lead however to…