Related papers: Face-centered cubic crystallization of atomistic c…
The calculation of the discrete atomistic energy of a crystal near the continuum limit encounters difficulties caused by the geometric discrepancy between the continuum region occupied by the body, and the discrete collection of lattice…
We suggest a new adiabatic approach for description of three charged particles in the continuum. This approach is based on the Coulomb-Fourier transformation (CFT) of three body Hamiltonian, which allows to develop a scheme, alternative to…
The volume-dependence of a shallow three-particle bound state in the cubic box with a size $L$ is studied. It is shown that, in the unitary limit, the energy-level shift from the infinite-volume position is given by $\Delta E=c…
We study $\phi^4$ lattice field theory at finite chemical potential $\mu$ in two and four dimensions, using a worldline representation that overcomes the complex action problem. We compute the particle number at very low temperature as a…
We study the contact geometry of the connected components of the energy hypersurface, in the symmetric restricted 3-body problem on $\mathbb{S}^2$, for a specific type of motion of the primaries. In particular, we show that these components…
The problem of finding the minimum-energy configuration of particles on a lattice, subject to a generic short-ranged repulsive interaction, is studied analytically. The study is relevant to charge ordered states of interacting fermions, as…
The study of singular perturbations of the Dirichlet energy is at the core of the phenomenological-description paradigm in soft condensed matter. Being able to pass to the limit plays a crucial role in the understanding of the…
A model lattice ab initio parameterised Hamiltonian spanning a broad range of alloy compositions and a large variety of chemical and magnetic configurations has been developed for face-centered cubic Fe-Ni alloys. Thermodynamic and magnetic…
We consider minimising $p$-harmonic maps from three-dimensional domains to the real projective plane, for $1<p<2$. These maps arise as least-energy configurations in variational models for nematic liquid crystals. We show that the singular…
The possibility of observing many body localization of ultracold atoms in a one dimensional optical lattice is discussed for random interactions. In the non-interacting limit, such a system reduces to single-particle physics in the absence…
What are the mechanisms leading to the shape relaxation of three dimensional crystallites ? Kinetic Monte Carlo simulations of fcc clusters show that the usual theories of equilibration, via atomic surface diffusion driven by curvature, are…
Recently, Locatelli and Schoen proposed a transformation of the potential energy that aids the global optimization of Lennard-Jones clusters with non-icosahedral global minima. These cases are particularly difficult to optimize because the…
Macro properties of cold atomic gases are driven by few-body correlations, even if the gas has thousands of particles. Quantum systems composed of two and three particles with attractive zero\=/range pairwise interactions are considered for…
This article is devoted to the study of certain models for phase transitions involving nonlocal energies. A first part is concerned with to the asymptotic analysis of a system of fractional elliptic equations of Allen-Cahn type as a…
Understanding polymorph selection in atomic and molecular systems and its control through thermodynamic conditions and external factors (such as seed characteristics) is fundamental to the design of targeted materials and holds great…
We report on a study of a classical, finite system of confined particles in two dimensions with a two-body repulsive interaction. We first develop a simple analytical method to obtain equilibrium configurations and energies for few…
We consider a system of $N$ hard spheres sitting on the nodes of either the $\mathrm{FCC}$ or $\mathrm{HCP}$ lattice and interacting via a sticky-disk potential. As $N$ tends to infinity (continuum limit), assuming the interaction energy…
Strongly-interacting ultra-cold atoms in tight-binding optical lattice potentials provide an ideal platform to realize the fundamental Hubbard model. Here, after outlining the elementary single particle solution, we review and expand our…
We investigate the basis-set convergence of electronic correlation energies calculated using coupled cluster theory and a recently proposed finite basis-set correction technique. The correction is applied to atomic and molecular systems and…
We call \emph{Alphabet model} a generalization to N types of particles of the classic ABC model. We have particles of different types stochastically evolving on a one dimensional lattice with an exchange dynamics. The rates of exchange are…