Related papers: Erratum: Diffusion Monte Carlo study of circular q…
The ground-state properties of two-component repulsive Fermi gases in two dimensions are investigated by means of fixed-node diffusion Monte Carlo simulations. The energy per particle is determined as a function of the intercomponent…
Diffusion Monte Carlo (DMC) based on fixed-node approximation has enjoyed significant developments in the past decades and become one of the go-to methods when accurate ground state energy of molecules and materials is needed. The remaining…
Ab initio calculations provide direct access to the properties of pure neutron systems that are challenging to study experimentally. In addition to their importance for fundamental physics, their properties are required as input for…
The electromagnetic scattering of a spin-0 charged particle off a fixed center is calculated in first-order quantum perturbation theory. This implies evaluating the square of a `Dirac delta-function,' an operation that is not defined in…
Quantum Hall states at filling fraction $\nu$=5/2 are examined by numerical diagonalization. Spin-polarized and -unpolarized states of systems with $N\le 18$ electrons are studied, neglecting effects of Landau level mixing. We find that the…
We consider the ``fractional quantum Hall atom" in the vanishing Zeeman energy limit, and investigate the validity of Hund's maximum-spin rule for interacting electrons in various Landau levels. While it is not valid for {\em electrons} in…
The hyperpolarizability has been extensively studied to identify universal properties when it is near the fundamental limit. Here, we employ the Monte Carlo method to study the fundamental limit of the second hyperpolarizability. As was…
We have investigated decorrelation of samples in Quantum Monte Carlo (QMC) ground-state energy calculations for large Li and H$_{2}$O nanoclusters. Binning data as a way of eliminating statistical correlations, as is the common practice, is…
Recent calculations using coupled cluster on solids have raised discussion of using a $N^{-1/3}$ power law to fit the correlation energy when extrapolating to the thermodynamic limit, an approach which differs from the more commonly used…
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…
We describe and discuss a recently proposed quantum Monte Carlo algorithm to compute the ground-state properties of various systems of interacting fermions. In this method, the ground state is projected from an initial wave function by a…
Starting from the quantum Monte Carlo (QMC) prediction for the ground-state energy of a clean two-dimensional one-valley (2D1V) electron gas, we estimate the energy correction due to scattering sources present in actual devices such as AlAs…
We use the Path Integral Monte Carlo method to investigate the interplay between shell effects and electron correlations in single quantum dots with up to 12 electrons. By use of an energy estimator based on the hypervirial theorem of…
The first-order phase transition of the two-dimensional eight-state Potts model is shown to be rounded when long-range correlated disorder is coupled to energy density. Critical exponents are estimated by means of large-scale Monte Carlo…
In a previous work, we reported exact results of energies of the ground state in the fractional quantum Hall effect (FQHE) regime for systems with up to $N_{\text{e}} = 6$ electrons at the filling factor $\nu = 1/3$ by using the method of…
A strong violation of the $\displaystyle{\Delta I = {1\over 2}} $ rule has experimentally been found in the $\displaystyle{D \to \pi\pi}$ decays [1]. In this letter we will show that the order of magnitude of this violation can be…
We study the development of electron-electron correlations in circular quantum dots as the density is decreased. We consider a wide range of both electron number, N<=20, and electron gas parameter, r_s<18, using the diffusion quantum Monte…
Quantum annealing (QA) with a transverse field often fails to sample degenerate ground states fairly, limiting applicability to problems requiring diverse optimal solutions. Although Quantum Monte Carlo (QMC) is widely used to simulate QA,…
We present high-accuracy correlated calculations of small Si$_x$H$_y$ molecular systems both in the ground and excited states. We employ quantum Monte Carlo (QMC) together with a variety of many-body wave function approaches based on basis…
We investigate the use of different variational principles in quantum Monte Carlo, namely energy and variance minimization, prompted by the interest in the robust and accurate estimate of electronic excited states. For two prototypical,…