Related papers: Depletion interaction between two ellipsoids
For the first time, we calculate the heating rate, attractive conservative and tangential dissipative fluctuation electromagnetic forces felt by a thick plate moving parallel to a closely spaced another plate in rest using a nonrelativistic…
We present here novel insight into exchange-correlation functionals in density functional theory, based on the viewpoint of optimal transport. We show that in the case of two electrons and in the semiclassical limit, the exact…
The Hubbard model is investigated in the framework of lattice density functional theory (LDFT). The single-particle density matrix $\gamma_{ij}$ with respect the lattice sites is considered as the basic variable of the many-body problem. A…
A number of problems arise when long-range forces, such as those governed by Bessel functions, are used in particle-particle simulations. If a simple cut-off for the interaction is used, the system may find an equilibrium configuration at…
The complicated ways in which electrons interact in many-body systems such as molecules and materials have long been viewed through the lens of local electron correlation and associated correlation functions. However, quantum information…
A framework for developing new approximate electronic structure methods is presented, in which the correlation energy of a many-electron system in the ground state is computed as in the single-reference second-order many-body perturbation…
We investigate effects of electron-electron interactions on the shape of the Fermi surface in an anisotropic two-dimensional electron gas using the `RPA-GW' self-energy approximation. We find that the interacting Fermi surface deviates from…
We propose a systematic procedure for the approximation of density functionals in density functional theory that consists of two parts. First, for the efficient approximation of a general density functional, we introduce an efficient ansatz…
Time-dependent density functional theory has emerged as a method of choice for calculations of spectra and response properties in physics, chemistry, and biology, with its system-size scaling enabling computations on systems much larger…
The entanglement entropy of an annulus is examined in a three-dimensional system with or without a gap. For a free massive scalar field theory, we numerically calculate the mutual information across an annulus. We also study the holographic…
Using a simple mean-field density functional theory theory (DFT), we investigate the structure and phase behaviour of a model colloidal fluid composed of particles interacting via a pair potential which has a hard core of diameter $\sigma$,…
We consider two particles performing continuous-time nearest neighbor random walk on $\mathbb Z$ and interacting with each other when they are at neighboring positions. Typical examples are two particles in the partial exclusion process or…
Simple models for spherical particles with a soft shell have been shown to self-assemble into numerous crystal phases and even quasicrystals. However, most of these models rely on a simple pairwise interaction, which is usually a valid…
This chapter starts with a summary of the atomistic processes that occur during epitaxy. We then introduce density functional theory (DFT) and describe its implementation into state-of-the-art computations of complex processes in condensed…
We consider the model of random sequential adsorption, with depositing objects, as well as those already at the surface, decreasing in size according to a specified time dependence, from a larger initial value to a finite value in the large…
It has been noticed that confinement effects can be described by the addition of a $ \sqrt {- F_{\mu \nu}^a F^{a\mu \nu}} $ term in the Lagrangian density. We now study the combined effect of such "confinement term" and that of a mass term.…
Simulations of asteroid binaries commonly use mutual gravitational potentials approximated by series expansions, leading to truncation errors, and also preventing correct computations of the forces and torques when the bodies are close. We…
Accurately treating strong electron correlation in quantum chemistry typically requires multireference wave-function methods with steep computational scaling. The recently proposed i-DMFT method promises near configuration-interaction…
Understanding contact between rough surfaces undergoing plastic deformation is crucial in many applications. We test Persson's multiscale contact mechanics theory for elastoplastic solids, assuming a constant penetration hardness. Using a…
We study the two band degenerate Hubbard model using the Fluctuation Exchange approximation (FLEX) method and compare the results with Quantum Monte-Carlo calculations. Both the self-consistent and the non-self-consistent versions of the…