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We present results of Diffusion Monte Carlo calculations for a system of solid ortho-D_2 at different densities, for pressure ranging from 0 up to 350MPa. We compare the equation of state obtained using two of the most used effective intermolecular potentials, i.e. the Silvera--Goldman and the Buck potentials, with experimental data, in order to assess the validity of the model interactions. The Silvera-Goldman potential has been found to provide a satisfactory agreement with experimental results, showing that, as opposed to what recently found for p-H_2, three--body forces can be efficiently accounted for by an effective two--body term.
We study the elasticity of perfect 4He at zero-temperature using the diffusion Monte Carlo method and a realistic semi-empirical pairwise potential to describe the He-He interactions. Specifically, we calculate the value of the elastic constants of h
The pressure-volume-temperature equation of state of the intermetallic compound NiAl was calculated theoretically, and compared with experimental measurements. Electron ground states were calculated for NiAl in the CsCl structure, using density funct
Diffusion Monte Carlo (DMC) calculations were performed for an accurate description of the nature of the O$_2$ adsorption on a single layer graphene. We investigated the stable orientation of O$_2$ at a specific adsorption site as well as its equilib
We study, using quantum Monte Carlo (QMC) simulations, the ground state properties of a one dimensional Rabi-Hubbard model. The model consists of a lattice of Rabi systems coupled by a photon hopping term between near neighbor sites. For large enough
We have investigated the ground state properties of solid $^4$He with the Shadow Path Integral Ground State method. This exact T=0 K projector method allows to describes quantum solids without introducing any a priori equilibrium position. We have fo