Related papers: Erratum: Diffusion Monte Carlo study of circular q…
In our previous publication we have mistakenly claimed that the applicability of the Hellmann-Feynman theorem in fixed-node quantum Monte Carlo calculations is not subject to the manner how the nodal boundary depends on an external…
The Diffusion Monte Carlo method is devoted to the computation of electronic ground-state energies of molecules. In this paper, we focus on implementations of this method which consist in exploring the configuration space with a {\bf fixed}…
We calculate the ground-state energy of 4He, 8He, 16O, and 40Ca using the auxiliary field diffusion Monte Carlo method in the fixed phase approximation and the Argonne v6' interaction which includes a tensor force. Comparison of our light…
Using both the density-matrix renormalization group method and the constrained-path quantum Monte Carlo method, we have studied the ground-state energies and the spin and hole densities of a $12 \times 3$ Hubbard model with open boundary…
We propose a new quantum Monte Carlo algorithm to compute fermion ground-state properties. The ground state is projected from an initial wavefunction by a branching random walk in an over-complete basis space of Slater determinants. By…
We present quantum Monte Carlo results for the Hubbard model on a ladder using the re-structuring method which employ eigenstates of two-site system on a rung to construct a complete set. From technical reasons we concentrate on the case in…
Properly regularized second-order degenerate perturbation theory is applied to compute the contribution of higher Landau levels to the low-energy spectrum of interacting electrons in a disk-shaped quantum dot. At ``filling factor'' near…
In this paper the Diffusion Monte Carlo (DMC) method is applied to the confined hydrogen atom with different confinement geometries. This approach is validated using the much studied spherical and cylindrical confinements and then applied…
The present work introduces an efficient Monte Carlo algorithm for continuum percolation composed of randomly-oriented rectangles. By conducting extensive simulations, we report high precision percolation thresholds for a variety of…
Monte Carlo simulations have been performed to determine the excess energy and the equation of state of fcc solids with Sutherland potentials for wide ranges of temperatures, densities and effective potential ranges. The same quantities…
For a perturbation of the state of a Conformal Field Theory (CFT), the response of the entanglement entropy is governed by the so-called "first law" of entanglement entropy, in which the change in entanglement entropy is proportional to the…
In order to find the equilibrium geometries of molecules and solids and to perform ab initio molecular dynamics, it is necessary to calculate the forces on the nuclei. We present a correlated sampling method to efficiently calculate…
It is demonstrated that Monte Carlo sampling can be used to efficiently extract the expectation value of projected entangled pair states with large virtual bond dimension. We use the simple update rule introduced by Xiang et al. to obtain…
We calculate numerically the spectrum of disordered electrons in the lowest Landau level at filling factor 1/5 using the self-consistent Hartree-Fock approximation for systems containing up to 400 flux quanta. Special attention is paid to…
A variety of planar {\pi}-conjugated hydrocarbons such as heptauthrene, Clar's goblet and, recently synthesized, triangulene have two electrons occupying two degenerate molecular orbitals. The resulting spin of the interacting ground state…
A major obstacle toward a {\em quantitative} verification, by comparison to experiment, of the theory of the excitations of the fractional quantum Hall effect has been the lack of a proper understanding of disorder. We circumvent this…
We present high-precision quantum Monte Carlo results for the S=1/2 XY model on a two-dimensional square lattice, in the ground state as well as at finite temperature. The energy, the spin stiffness, the magnetization, and the…
A diffusion Monte Carlo algorithm is introduced that can determine the correct nodal structure of the wave function of a few-fermion system and its ground-state energy without an uncontrolled bias. This is achieved by confining signed…
Recent works have related the bulk first law of black hole mechanics to the first law of entanglement in a dual CFT. These are first order relations, and receive corrections for finite changes. In particular, the latter is naively expected…
We present a detailed study of the energetics of water clusters (H$_2$O)$_n$ with $n \le 6$, comparing diffusion Monte Carlo (DMC) and approximate density functional theory (DFT) with well converged coupled-cluster benchmarks. We use the…