Related papers: Diffusion quantum Monte Carlo study of three-dimen…
The non-equilibrium relaxational properties of a three dimensional Coulomb glass model are investigated by kinetic Monte Carlo simulations. Our results suggest a transition from stationary to non-stationary dynamics at the equilibrium glass…
We study the coupled two-species non-equilibrium reaction-controlled diffusion model introduced by Trimper et al. [Phys. Rev. E 62, 6071 (2000)] by means of detailed Monte Carlo simulations in one and two dimensions. Particles of type A may…
A third order expansion for Wigner-Kirkwood commutation function, a complex function in classical phase space that accounts for the Heisenberg uncertainty relation, is approximated and integrated over momentum to give a real function in…
The new numerical version of the Wigner approach to quantum mechanics for treatment thermodynamic properties of strongly coupled systems of particles has been developed for extreme conditions, when analytical approximations obtained in…
Fixed node diffusion Monte Carlo (DMC) has been performed on a test set of forward and reverse barrier heights for 19 non-hydrogen-transfer reactions, and the nodal error has been assessed. The DMC results are robust to changes in the nodal…
We explore the theory of electrons confined by one dimensional power law potentials. We calculate the density profile in the high density electron gas, the low density Wigner crystal, and the intermediate regime. We extract the momentum…
We have used diffusion Monte Carlo (DMC) simulations to calculate the energy barrier for H$_2$ dissociation on the Mg(0001) surface. The calculations employ pseudopotentials and systematically improvable B-spline basis sets to expand the…
An accurate description of low-density nuclear matter is crucial for explaining the physics of neutron star crusts. In the density range between approximately 0.01 fm$^{-3}$ and 0.1 fm$^{-3}$, matter transitions from neutron-rich nuclei to…
Several models for the Monte Carlo simulation of Compton scattering on electrons are quantitatively evaluated with respect to a large collection of experimental data retrieved from the literature. Some of these models are currently…
Generalized Wigner crystals (GWC) on triangular moir\'e superlattices, formed from stacking two layers of transition metal chalcogenides, have been observed at multiple fractional fillings [Nature 587, 214 - 218 (2020), Nat. Phys. 17, 715 -…
The liquid and crystal phase of a single-component Fermi gas with dipolar interactions are investigated using quantum Monte Carlo methods in two spatial dimensions and at zero temperature. The dipoles are oriented by an external field…
The stability and melting transition of a single layer and a bilayer crystal consisting of charged particles interacting through a Coulomb or a screened Coulomb potential is studied using the Monte-Carlo technique. A new melting criterion…
The Wigner crystal, an ordered array of electrons, is one of the very first proposed many-body phases stabilized by the electron-electron interaction. This electron solid phase has been reported in ultra-clean two-dimensional electron…
We present the numerical Quantum Monte Carlo results for the ground state energy of circular quantum dots in which Rashba spin-orbit iteraction is present. Diffusion Monte Carlo with spin propagation is applied in order to treat the…
A granular gas composed of inelastic hard spheres or disks in the homogeneous cooling state is considered. Some of the particles are labeled and their number density exhibits a time-independent linear profile along a given direction. As a…
The Bose condensation of 2D dipolar excitons in quantum wells is numerically studied by the diffusion Monte Carlo simulation method. The correlation, microscopic, thermodynamic, and spectral characteristics are calculated. It is shown that,…
Using a diffusion Monte Carlo algorithm, we calculated the spectra of all possible $S$-wave fully heavy pentaquarks within the framework of the quark model. Our aim was to compare the masses of different spin-color configurations…
We studied the miscibility of two dipolar quantum gases in the limit of zero temperature. The system under study is composed by a mixture of two Bose gases with dominant dipolar interaction in a two-dimensional harmonic confinement. The…
We develop a formalism and present an algorithm for optimization of the trial wave-function used in fixed-node diffusion quantum Monte Carlo (DMC) methods. We take advantage of a basic property of the walker configuration distribution…
We present two Diffusion Monte Carlo (DMC) algorithms for systems of ultracold quantum gases featuring synthetic spin-orbit interactions. The first one is a discrete spin generalization of the T- moves spin-orbit DMC, which provides an…