Related papers: Screening in the finite-temperature reduced Hartre…
We develop a practical Hartree-Fock theory for trapped Bose and Fermi gases that interact with dipole-dipole interactions. This theory is applicable at zero and finite temperature. Our approach is based on the introduction of local momentum…
In this chapter, we demonstrate a general formulation of the Finite Element Method allowing to calculate the diffraction efficiencies from the electromagnetic field diffracted by arbitrarily shaped gratings embedded in a multilayered stack…
A Hartree--Fock analysis of the ground-state electronic structure of the finite spherical jellium model is carried out for systems containing up to $520$ electrons in a positive background field with densities ranging from $10^{-3}$ to $1$.…
This work considers the iterative solution of large-scale problems subject to non-symmetric matrices or operators arising in discretizations of (port-)Hamiltonian partial differential equations. We consider problems governed by an operator…
Calculations for two electrons in an elliptic quantum dot, using symmetry breaking at the unrestricted Hartree-Fock level and subsequent restoration of the broken parity via projection techniques, show that the electrons can localize and…
A fully analytical approximation for the observable characteristics of many-electron atoms is developed via a complete and orthonormal hydrogen-like basis with a single-effective charge parameter for all electrons of a given atom. The basis…
We consider the simplest one-constant model, put forward by J. Ericksen, for nematic liquid crystals with variable degree of orientation. The equilibrium state is described by a director field $\mathbf{n}$ and its degree of orientation $s$,…
We present a fully numerical framework for the optimization of molecule-specific quantum chemical basis functions within the quantics tensor train format using a finite-difference scheme. The optimization is driven by solving the…
Precise solutions of the Hartree-Fock equations for the ground state of the hydrogen molecule are obtained for a wide range of internuclear distances R by means of a two-dimensional fully numerical mesh computational method. The spatial…
It is shown that any defect gives an Ohmic contribution to the damping of any normal mode of the crystal lattice with nonzero wavevector which does not vanish at zero temperature. This explains the large phason damping observed at low…
A model is proposed in which the Hawking particles emitted by a black hole are treated as an envelope of matter that obeys an equation of state, and acts as a source in Einstein's equations. This is a crude but interesting way to…
In this paper, we present a finite element method (FEM) framework enhanced by an operator-adapted wavelet decomposition algorithm designed for the efficient analysis of multiscale electromagnetic problems. Usual adaptive FEM approaches,…
We prove a threshold phenomenon for the existence/non-existence of energy minimizing solitary solutions of the diffraction management equation for strictly positive and zero average diffraction. Our methods allow for a large class of…
In this article, we present an emerging field of quantum chemistry at finite temperature. We discuss its recent developments on both theoretical and experimental fronts.We describe and analyze several experimental investigations related to…
We have performed a comprehensive study of the singlet ground state of two electrons on the surface of a sphere of radius $R$. We have used electronic structure models ranging from restricted and unrestricted Hartree-Fock theory to…
Hartree-Fock theory is supposed to yield a picture of atomic shells which may or may not be filled according to the atom's position in the periodic table. We prove that shells are always completely filled in an exact Hartree-Fock…
The symmetry-projected Hartree--Fock ansatz for the electronic structure problem can efficiently account for static correlation in molecules, yet it is often unable to describe dynamic correlation in a balanced manner. Here, we consider a…
We analyze the eigenvalues and eigenvectors of the staggered Dirac operator in quenched lattice QCD in the vicinity of the deconfinement phase transition using the L\"uscher-Weisz gauge action. The spectral and localization properties of…
Accurate and efficient calculations of absorption spectra of molecules and materials are essential for the understanding and rational design of broad classes of systems. Solving the Bethe-Salpeter equation (BSE) for electron-hole pairs…
We introduce a new preconditioner for a recently developed pressure-robust hybridized discontinuous Galerkin (HDG) finite element discretization of the Stokes equations. A feature of HDG methods is the straightforward elimination of…