Related papers: Density estimates for degenerate double-well poten…
The effective pair potentials between different kinds of dendrimers in solution can be well approximated by appropriate Gaussian functions. We find that in binary dendrimer mixtures the range and strength of the effective interactions…
The local density of states \rho(x,E) is calculated for a Bloch electron in an electric field. Depending on the system size, we can see one or more sequences of Wannier-Stark ladders in \rho(x,E), with Lorentz type level widths and apparent…
Consider the problem of estimating the $\gamma$-level set $G^*_{\gamma}=\{x:f(x)\geq\gamma\}$ of an unknown $d$-dimensional density function $f$ based on $n$ independent observations $X_1,...,X_n$ from the density. This problem has been…
We consider a simple model of the quasi-two-dimensional dipolar Bose gas confined in the one-dimensional square well potential. All dipoles are assumed to be oriented along the confining axis. By means of hydrodynamic approach it is shown…
We investigate the convergence of phase fields for the Willmore problem away from the support of a limiting measure $\mu$. For this purpose, we introduce a suitable notion of essentially uniform convergence. This mode of convergence is a…
We investigate Gabor frames on locally compact abelian groups with time-frequency shifts along non-separable, closed subgroups of the phase space. Density theorems in Gabor analysis state necessary conditions for a Gabor system to be a…
We provide a rigorous derivation of a class of double-hybrid approximations, combining Hartree-Fock exchange and second-order Moller-Plesset correlation with a semilocal exchange-correlation density functional. These double-hybrid…
We consider a generalization of the classifier-based density-ratio estimation task to a quasiprobabilistic setting where probability densities can be negative. The problem with most loss functions used for this task is that they implicitly…
We introduce a new density for the representation of quantum states on phase space. It is constructed as a weighted difference of two smooth probability densities using the Husimi function and first-order Hermite spectrograms. In contrast…
Since the development of generalized gradient approximations in the 1990s, approximations based on density functional theory have dominated electronic structure theory calculations. Modern approximations can yield energy differences that…
In this paper we generalize the famous result of [FKS] to the double phase model. In particular, we work with minimal assumptions on the modulating coefficient by introducing a Muckenhoupt-type condition on generalized Orlicz spaces. We…
We analyze density profiles for atomic quantum Hall states, which are expected to form in systems of rotating cold atoms in the high-rotation limit. For a two-dimensional (single-layer) system we predict a density landscape showing plateaus…
The concept of a profile decomposition formalizes concentration compactness arguments on the functional-analytic level, providing a powerful refinement of the Banach-Alaoglu weak-star compactness theorem. We prove existence of profile…
We investigate the properties of many-electron systems in two-dimensional polygonal (triangle, square, pentagon, hexagon) potential wells by using the density functional theory. The development of the ground state electronic structure as a…
We consider a functional related with phase transition models in the Heisenberg group framework. We prove that level sets of local minimizers satisfy some density estimates, that is, they behave as "codimension one" sets. We thus deduce a…
Implicit and explicit density functionals for the exchange energy in finite two-dimensional systems are developed following the approach of Becke and Roussel [Phys. Rev. A 39, 3761 (1989)]. Excellent agreement for the exchange-hole…
We have formulated and implemented a fully charge-self-consistent density functional theory plus dynamical mean field theory methodology which enables an efficient calculation of the total energy of realistic correlated electron systems.…
We use a two-fluid model combining the quantum Green's function technique for the electrons and a classical HNC description for the ions to calculate the high-density equation of state of hydrogen. This approach allows us to describe fully…
This article is concerned with a special class of the ``double-well-like'' potentials that occur naturally in the analysis of finite quantum systems. Special attention is paid, in particular, to the so-called Fokker-Planck potential, which…
In this work we give a comprehensive derivation of an exact and numerically feasible method to perform ab-initio calculations of quantum particles interacting with a quantized electromagnetic field. We present a hierachy of…