Related papers: Ab initio investigation of intermolecular interact…
By the Bethe ansatz method we study the energy dispersion of a particle interacting by a local interaction with fermions (or hard core bosons) of equal mass in a one dimensional lattice. We focus on the period of the Bloch oscillations…
We introduce an efficient scheme for the molecular dynamics of electronic systems by means of quantum Monte Carlo. The evaluation of the (Born-Oppenheimer) forces acting on the ionic positions is achieved by two main ingredients: i) the…
We investigate the problem of periodically modulated strongly interacting neutron matter. We carry out ab initio non-perturbative auxiliary-field diffusion Monte Carlo calculations using an external sinusoidal potential in addition to…
We present a series of experimental investigations on binary mixtures of Bose-Einstein condensates. Our focus lies on the regime where the interaction parameters place the system at the threshold of miscibility. We demonstrate that the…
Collective diffusion coefficient in a one dimensional lattice gas adsorbate is calculated using variational approach. Particles interact via either a long-range, or a long range electron-gas-mediated (for a metallic substrate), or a…
The cohesive energy, equilibrium lattice constant, and bulk modulus of noble metals are computed by different van der Waals-corrected Density Functional Theory methods, including vdW-DF, vdW-DF2, vdW-DF-cx, rVV10 and PBE-D. Two…
We study a mixture of fermionic and bosonic cold atoms on a two-dimensional optical lattice, where the fermions are prepared in two hyperfine (isospin) states and the bosons have Bose-Einstein condensed (BEC). The coupling between the…
Neutral $B$ meson mixing matrix elements and $B$ meson decay constants are calculated. Static approximation is used for $b$ quark and domain-wall fermion formalism is employed for light quarks. The calculations are carried out on $2+1$…
We develop a mesoscale computational model to describe the interaction of a droplet with a solid. The model is based on the hybrid combination of the immersed boundary and the lattice Boltzmann computational schemes: the former is used to…
For the first time, an experimental determination of the single-particle mean kinetic energies for 3He along the T=2.00 K isotherm in the dense liquid and in the solid hcp and bcc phases is reported. Deep Inelastic Neutron Scattering…
We report a systematic study of the weak chemical bond between two benzene molecules. We first show that it is possible to obtain a very good description of the C_2 dimer and the benzene molecule, by using pseudopotentials for the…
An accurate and easily extendable method to deal with lattice dynamics of solids is offered. It is based on first-principles molecular dynamics simulations and provides a consistent way to extract the best possible harmonic - or higher…
The role of the entrance channel in the fusion-fission reactions leading to nearly the same superheavy compound nucleus is studied in the framework of dynamic model. The calculations are done for $^{48}$Ca + $^{244}$Pu and $^{74,76}$Ge +…
The decay constant for the B-meson in the static limit is calculated using the Wilson and clover actions at various lattice spacings. We show that both the contamination of our results by excited states and the effects finite lattice…
Correlated ab-initio ground-state calculations, using relativistic energy-consistent pseudopotentials, are performed for six II-VI semiconductors. Valence ($ns,np$) correlations are evaluated using the coupled cluster approach with single…
A smooth path of rearrangement from the body-centered cubic (bcc) to the face-centered cubic (fcc) lattice is obtained by introducing a single parameter to cuboidal lattice vectors. As a result, we obtain analytical expressions in terms of…
We propose a scheme to dynamically create a supersolid state in an optical lattice, using an attractive mixture of mass-imbalanced bosons. Starting from a "molecular" quantum crystal, supersolidity is induced dynamically as an…
Condensates of active particles such as cells form almost-crystalline lattices which play a central role in many biological systems. Typically, their properties have been determined merely by analogy to the rather trivial one-dimensional…
The knowledge of the binding energy of molecules on astrophysically relevant ices can help to obtain an estimate of the desorption rate, i.e. the molecules residence time on the surface. This represents an important parameter for…
We use a path integral approach to calculate the superfluid density of a Bose lattice gas in the limit where the number of atoms per site is large. Our analytical expressions agree with numerical results on small systems for low…