Related papers: Diffusion monte carlo calculations of three-body s…
A new algorithm for Monte Carlo calculation of the double exchange model is studied. The algorithm is commonly applicable to wide classes of strongly correlated electron systems which involve itinerant electrons coupled with…
In this thesis, I discuss the use of the Auxiliary Field Diffusion Monte Carlo method to compute the ground state of nuclear Hamiltonians, and I show several applications to interesting problems both in nuclear physics and in nuclear…
Momentum distributions of particles from nuclear break-up of fast three-body halos are calculated for polarized beam and outgoing fragments. These momentum distributions are combined in observable quantities which emphasize the two-body…
The model of three-body Borromean halo nuclei breakup was described by using standard phase space distributions and the Monte Carlo simulation method was established to resolve the detection problem of two neutrons produced from breakup…
Diffusion of ions through a fluctuating polymeric host is studied both by Monte Carlo simulation of the complete system dynamics and by dynamic bond percolation (DBP) theory. Comparison of both methods suggests a multiscale-like approach…
Two decades after its unexpected discovery, the properties of the $X(3872)$ exotic resonance are still under intense scrutiny. In particular, there are doubts about its nature as an ensemble of mesons or having any other internal structure.…
We present an overview of the variational and diffusion quantum Monte Carlo methods as implemented in the CASINO program. We particularly focus on developments made in the last decade, describing state-of-the-art quantum Monte Carlo…
By decomposing the important sampled imaginary time Schr\"odinger evolution operator to fourth order with positive coefficients, we derived a number of distinct fourth order Diffusion Monte Carlo algorithms. These sophisticated algorithms…
We report diffusion quantum Monte Carlo calculations of three-dimensional Wigner crystals in the density range r_s=100-150. We have tested different types of orbital for use in the approximate wave functions but none improve upon the simple…
We investigate the inclusion of variable spins in electronic structure quantum Monte Carlo, with a focus on diffusion Monte Carlo with Hamiltonians that include spin-orbit interactions. Following our previous introduction of fixed-phase…
We compute the matrix elements for elastic scattering of dark matter (DM) particles off light nuclei ($^2$H, $^3$H, $^3$He, $^4$He and $^6$Li) using quantum Monte Carlo methods. We focus on scalar-mediated DM-nucleus interactions and use…
We report on the first quantum Monte Carlo calculations of helium isotopes with fully propagated theoretical uncertainties from the interaction to the many-body observables. To achieve this, we build emulators for solutions to the Faddeev…
Understanding the equation of state (EOS) of pure neutron matter is necessary for interpreting multimessenger observations of neutron stars. Reliable data analyses of these observations require well-quantified uncertainties for the EOS…
The work presents the recent developments in Quantum Monte Carlo calculations for nuclear systems including strange degrees of freedom. The Auxiliary Field Diffusion Monte Carlo algorithm has been extended to the strange sector by the…
We calculate the electronic and atomic structure of (MnO)n (n=1-4) using the HF exchange, VWN, PBE and B3LYP exchange-correlation functionals. We also perform diffusion Monte Carlo calculation to evaluate more accurate energies. We ompare…
The many-body diffusion quantum Monte Carlo (DMC) method with twist-averaged boundary conditions is used to calculate the ground-state equation of state and the energetics of point defects in fcc aluminum using supercells up to 1331 atoms.…
We construct a quantum Monte Carlo algorithm for interacting fermions using the two-body density as the fundamental quantity. The central idea is mapping the interacting fermionic system onto an auxiliary system of interacting bosons. The…
Recent experimental results in three-body systems have unambiguously shown that calculations based on nucleon-nucleon forces fail to accurately describe many experimental observables and one needs to include effects which are beyond the…
We calculate the equation of state of neutron matter at zero temperature by means of the auxiliary field diffusion Monte Carlo method (AFDMC) combined with a fixed-phase approximation. The calculation of the energy is carried out by…
Three-body correlations in three-body exotic atoms are studied with simple models that consist of three bosons interacting through a superposition of long- and short-range potentials. We discuss the correlations among particles by comparing…