Related papers: Quantum Monte Carlo-based density functional for o…
Quantum Monte Carlo calculations of the first-row atoms Li-Ne and their singly-positively-charged ions are reported. Multi-determinant-Jastrow-backflow trial wave functions are used which recover more than 98% of the correlation energy at…
An efficient Path Integral Monte Carlo procedure is proposed to simulate the behavior of quantum many-body dissipative systems described within the framework of the influence functional. Thermodynamic observables are obtained by Monte Carlo…
Quantum Monte Carlo (QMC) methods such as Variational Monte Carlo, Diffusion Monte Carlo or Path Integral Monte Carlo are the most accurate and general methods for computing total electronic energies. We will review methods we have…
We consider the equilibration rate for fermions in Bose-Fermi mixtures undergoing cross-dimensional rethermalization. Classical Monte Carlo simulations of the relaxation process are performed over a wide range of parameters, focusing on the…
The relaxation of a quantum field from a metastable state (false vacuum) to a stable one (true vacuum), also known as false vacuum decay, is a fundamental problem in quantum field theory and cosmology. We study this phenomenon using a…
A dynamical many-body theory is presented which systematically extends beyond mean-field and perturbative quantum-field theoretical procedures. It allows us to study the dynamics of strongly interacting quantum-degenerate atomic gases. The…
Quantitative numerical analyses of interacting dilute Bose-Einstein condensates are most often based on semi-classical approximations. Since the complex-valued field-theoretic action of the Bose gas does not offer itself to the direct…
Bose condensation of interacting bosons in a two-dimensional random potential is studied. The Gross-Pitaevskii equation is solved to determine the spatially-varying order parameter and the localization length as a function of the disorder,…
We consider a homogeneous 2D Bose gas with repulsive dipole-dipole interactions. The ground-state equation of state, calculated using the Diffusion Monte Carlo method, shows quantitative differences with predictions of commonly used…
We present a realistic study for electronic and magnetic properties in dilute magnetic semiconductor (Ga,Mn)As. A multi-orbital Haldane-Anderson model parameterized by density-functional calculations is presented and solved with the…
We present density response estimators for Monte Carlo simulations that are based on a reweighting procedure, where the samples of an unperturbed system are used to estimate the properties of a system perturbed by an external harmonic…
We present a unified description of different types of matter-wave solitons that can emerge in quasi one-dimensional spin-orbit coupled (SOC) Bose-Einstein condensates (BECs). This description relies on the reduction of the original…
We present a quantum Monte Carlo algorithm for the simulation of general quantum and classical many-body models within a single unifying framework. The algorithm builds on a power series expansion of the quantum partition function in its…
We study the formation and dynamics of bright solitons in a quasi-one-dimensional reduced mean-field Gross-Pitaevskii equation of a dipolar Bose-Einstein condensate with repulsive short-range interactions. The study is carried out using a…
The ground-state phase diagram of a two-dimensional Bose system with dipole-dipole interactions is studied by means of quantum Monte Carlo technique. Our calculation predicts a quantum phase transition from gas to solid phase when the…
We calculate the density profiles and density correlation functions of the one-dimensional Bose gas in a harmonic trap, using the exact finite-temperature solutions for the uniform case, and applying a local density approximation. The…
We use a density-functional theoretical approach to set up a computationally simple self-consistent scheme to calculate the pair distribution functions and the effective interactions in quantum Coulomb liquids. We demonstrate the accuracy…
We present extensive \textit{ab initio} path integral Monte Carlo (PIMC) simulations of two-dimensional quantum dipole systems in a harmonic confinement, taking into account both Bose- and Fermi-statistics. This allows us to study the…
We present a theoretical analysis of spatial correlations in a one-dimensional driven-dissipative non-equilibrium condensate. Starting from a stochastic generalized Gross-Pitaevskii equation, we derive a noisy Kuramoto-Sivashinsky equation…
Unbiased stochastic sampling of the one- and two-body reduced density matrices is achieved in full configuration interaction quantum Monte Carlo with the introduction of a second, "replica" ensemble of walkers, whose population evolves in…