Related papers: Ab initio investigation of intermolecular interact…
We consider a non-interacting one-dimensional gas accelerated by a constant and uniform external field. The energy absorbed from the field is transferred via elastic collisions to a bath of scattering obstacles. At gas-obstacle encounters…
We apply the compressive sensing lattice dynamics (CSLD) method to calculate phonon dispersion for crystalline solids. While existing methods such as frozen phonon, small displacement, and linear response are routinely applied for phonon…
We explore the dynamical stabilities of a quasi-one dimensional (1D) Bose-Einstein condensate (BEC) consisting of fixed $N$ atoms with time-independent external potential. For the stationary states with zero flow density the general…
I show how interaction corrections to the Bose condensation temperature of an atomic gas can be computed using a combination of perturbative effective field theory and lattice techniques.
We present a computational scheme for extracting the energy level alignment of a metal/molecule interface, based on constrained density functional theory and local exchange and correlation functionals. The method, applied here to benzene on…
We give an overview on current experiments on Bose-Einstein condensation (BEC) in a one-dimensional (1D) optical lattice. We introduce measurements of ground state, tunnelling and dynamical properties as well as investigations of atom…
The phase diagram of binary mixtures of particles interacting via a pair potential of parallel dipoles is computed at zero temperature as a function of composition and the ratio of their magnetic susceptibilities. Using lattice sums, a rich…
The binding energy of A3C60, a conductor, is described well by an ionic solid type calculation. This succeeds because there is little overlap between molecular wave functions on neighbouring sites, so that electrons are practically…
Computing dynamical response functions in interacting lattice models is a long standing challenge in condensed matter physics. In view of recent results, the dc resistivity $\rho_\mathrm{dc}$ in the weak coupling regime of the Hubbard model…
We present an approximate energy-integration method for identifying collisional neutrino flavor instabilities. Direct evaluation of the dispersion relation requires multi-dimensional integrals over neutrino phase space, making systematic…
We compute the Coulomb interaction energy of dense sets of static quarks in a compact volume (much smaller than the lattice volume) containing one quark per lattice site. The quark color charges are combined into either a set of three-quark…
An ab initio approach formulated under an entropy-inspired repartitioning of the electronic Hamiltonian is presented. This ansatz produces orbital eigenvalues each shifted by entropic contributions expressed as subsets of scaled pair…
We provide a systematic test of empirical theories of covalent bonding in solids using an exact procedure to invert ab initio cohesive energy curves. By considering multiple structures of the same material, it is possible for the first time…
We formulate a Lattice Hamiltonian approach for the modeling of intermediate energy heavy ion collisions. After verifying stationary ground state solutions, we implement this in a calculation of nuclear stopping power and compare our…
The dynamical evolution of a Bose-Einstein condensate trapped in a one-dimensional lattice potential is investigated theoretically in the framework of the Bose-Hubbard model. The emphasis is set on the far-from-equilibrium evolution in a…
We analyze collisional decoherence of atoms or molecules prepared in a coherent superposition of nondegenerate internal states at ultralow temperatures and placed in an ultracold buffer gas. Our analysis is applicable for an arbitrary bath…
We derive closed analytical expressions for the order parameter $\Phi (x)$ and for the chemical potential $\mu $ of a Bose-Einstein Condensate loaded into a harmonically confined, one dimensional optical lattice, for sufficiently weak,…
We present a technique to diagnose the condensate fraction in a one-dimensional optical lattice of weakly interacting bosons based on the dynamics of the trapped atoms under the influence of a momentum kick. It is shown using the…
The properties of crystals consisting of several components can be widely tuned. Often solid solutions are produced, where substitutional or interstitional disorder determines the crystal thermodynamic and mechanical properties. The…
This paper is to study the inelastic Boltzmann equation without Grad's angular cutoff assumption, where the well-posedness theory of the solution to the initial value problem is established for the Maxwellian molecules in a space of…