Related papers: A quantum Monte Carlo based density functional for…
We use the Bogoliubov theory of Bose-Einstein condensation to study the properties of dipolar particles (atoms or molecules) confined in a uniform two-dimensional geometry at zero temperature. We find equilibrium solutions to the dipolar…
We investigate the properties of a three-dimensional homogeneous dipolar Bose gas in a weak random potential with a Gaussian correlation function at finite temperature. Using the Bogoliubov theory (beyond the mean field), we calculate the…
The two-dimensional dissipative quantum XY model is applicable to the quantum-critical properties of diverse experimental systems, ranging from the superconductor to insulator transitions, ferromagnetic and antiferromagnetic transitions in…
Quasi-Monte Carlo (QMC) integration of output functionals of solutions of the diffusion problem with a log-normal random coefficient is considered. The random coefficient is assumed to be given by an exponential of a Gaussian random field…
The dielectric properties of molecules or nanostructures are usually modified in a complex manner, when assembled into a condensed phase. We propose a first-principles method to compute polarizabilities of sub-entities of solids and…
Bipolaron formation in a two-dimensional lattice with harmonic confinement, representing a simplified model for a quantum dot, is investigated by means of quantum Monte Carlo simulations. This method treats all interactions exactly and…
The quantum Monte Carlo methods represent a powerful and broadly applicable computational tool for finding very accurate solutions of the stationary Schroedinger equation for atoms, molecules, solids and a variety of model systems. The…
Recent observations of droplets in dipolar and binary Bose-Einstein condensate (BEC) motivates us to study the theory of droplet formation in detail. Precisely, we are interested in investigating the possibility of droplet formation in a…
Fluids made of two-dimensional hard particles with polygonal shapes may stabilize symmetries which do not result directly from the particle shape. This is due to the formation of clusters in the fluid. Entropy alone can drive these effects,…
We present recent theoretical results on superconductivity in correlated-electron systems, especially in the two-dimensional Hubbard model and the three-band d-p model. The mechanism of superconductivity in high-temperature superconductors…
Predictions for the chemical potential and the excitation gap recently obtained by our diagrammatic theory for the BCS-BEC crossover in the superfluid phase are compared with novel Quantum Monte Carlo results at zero temperature now…
The work is devoted to particles dynamics simulation in a colloidal drop, when it dries on a substrate and the triple-phase boundary is fixed. Experimental observations [Deegan R. D. et. al., 2000] show a ring deposition on a solid…
Molecular calculations in quantum Monte Carlo frequently employ a mixed basis consisting of contracted and primitive Gaussian functions. While standard basis sets of varying size and accuracy are available in the literature, we demonstrate…
In this work, we discuss the implications of a recently obtained equilibrium fluctuation-dissipation relation on the extension of the available Monte Carlo methods based on the consideration of the Gibbs canonical ensemble to account for…
We propose and use a novel, hybrid Monte Carlo algorithm that combines configurational bias particle swaps with parallel tempering. We use this new method to simulate a standard model of a glass forming binary mixture above and below the…
We present a comparative study of the rotational characteristics of various molecule-doped 4He clusters using quantum Monte Carlo techniques. The theoretical conclusions obtained from both zero and finite temperature Monte Carlo studies…
We examine the relation between the recently proposed time-dependent quantum Monte Carlo (TDQMC) method and the principles of stochastic quantization. In both TDQMC and stochastic quantization particle motion obeys stochastic guidance…
We calculate analytically the quantum and thermal fluctuations corrections of a dilute quasi-two-dimensional Bose-condensed dipolar gas. We show that these fluctuations may change their character from repulsion to attraction in the…
We develop an ensemble density functional theory for the fractional quantum Hall effect using a local density approximation. Model calculations for edge reconstructions of a spin-polarized quantum dot give results in good agreement with…
Classical density-functional theory provides an efficient alternative to molecular dynamics simulations for understanding the equilibrium properties of inhomogeneous fluids. However, application of density-functional theory to multi-site…