Related papers: A new look at Thomas-Fermi Theory
It is shown that the basic equations of quantum theory can be obtained from a straightforward application of logical inference to experiments for which there is uncertainty about individual events and for which the frequencies of the…
Accurate charge densities are essential for reliable electronic structure calculations because they significantly impact predictions of various chemical properties and in particular, according to the Hellmann-Feynman theorem, atomic forces.…
Orbital-free density functional theory (OF-DFT) provides an alternative approach for calculating the molecular electronic energy, relying solely on the electron density. In OF-DFT, both the ground-state density is optimized variationally to…
The dynamics of strongly interacting trapped dilute Fermi gases (dilute in the sense that the range of interatomic potential is small compared with inter-particle spacing) is investigated in a single-equation approach to the time-dependent…
Under certain conditions imposed on the energy-momentum tensor, a theorem that characterizes a two-parameter family of static and spherically symmetric solutions to Einstein's field equations (black holes), is proved. A discussion on the…
Nuclear density functional theory (DFT) is one of the main theoretical tools used to study the properties of heavy and superheavy elements, or to describe the structure of nuclei far from stability. While on-going efforts seek to better…
Starting from Newton's equations of motion, we derive a dynamical density functional theory (DDFT) applicable to atomic liquids. The theory has the feature that it requires as input the Helmholtz free energy functional from equilibrium…
We compute the equation of state, the gap as well as the density fluctuations of a two-component superfluid Fermi gas over the whole range of BEC-BCS crossover at vanishing temperature within the functional renormalisation group approach.…
We argue that the success of DFT can be understood in terms of a semiclassical expansion around a very specific limit. This limit was identified long ago by Lieb and Simon for the total electronic energy of a system. This is a universal…
We study the ionization problem in the Thomas-Fermi-Dirac-von Weizs\"acker theory for atoms and molecules. We prove the nonexistence of minimizers for the energy functional when the number of electrons is large and the total nuclear charge…
The success of density functional theory for the description of the adsorption of atoms on surfaces is well established, and based on recent calculations using gradient corrections, it has been shown that it also describes well the…
We demonstrate the existence of different density-density functionals designed to retain selected properties of the many-body ground state in a non-interacting solution starting from the standard density functional theory ground state. We…
We study existence and qualitative properties of the minimizers for a Thomas--Fermi type energy functional defined by $$E_\alpha(\rho):=\frac{1}{q}\int_{\mathbb{R}^d}|\rho(x)|^q…
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…
Spurred by the increasing needs in electrochemical energy storage devices, the electrode/electrolyte interface has received a lot of interest in recent years. Molecular dynamics simulations play a proeminent role in this field since they…
A non-relativisitic nuclear density functional theory is constructed, not as usual, from an effective density dependent nucleon-nucleon force but directly introducing in the functional results from microscopic nuclear and neutron matter…
The Weak Gravity Conjecture is typically stated as a bound on the mass-to-charge ratio of a particle in the theory. Alternatively, it has been proposed that its natural formulation is in terms of the existence of a particle which is…
We have performed self-consistent calculations for first and second row atoms using a variant of density-functional theory, the optimized effective potential method, with an approximation due to Krieger, Li and Iafrate and a…
The energy density is computed for a U(2) Chern-Simons theory coupled to a non-relativistic fermion field (a theory of ``non-Abelian anyons'') under the assumptions of uniform charge and matter density. When the matter field is a spinless…
Thomas-Fermi theory for Bose condesates in inhomogeneous traps is revisited. The phase-space distribution function in the Thomas-Fermi limit is $f_0(\bold{R},\bold{p})$ $\alpha$ $\delta(\mu - H_{cl})$ where $H_{cl}$ is the classical…