Related papers: Variational Monte Carlo and Configurational Intera…
We investigate the performance of a class of compact and systematically improvable Jastrow-Slater wave functions for the efficient and accurate computation of structural properties, where the determinantal component is expanded with a…
Momentum spectra of hydrogen isotopes have been measured at 3.5 deg from C12 fragmentation on a Be target. Momentum spectra cover both the region of fragmentation maximum and the cumulative region. Differential cross sections span five…
Variational Monte Carlo is a many-body numerical method that scales well with system size. It has been extended to study the Green function only recently by Charlebois and Imada (2020). Here we generalize the approach to systems with open…
A variational approach, based on a discrete representation of the chain, is used to calculate free energy and conformational properties in polyelectrolytes. The true bond and Coulomb potentials are approximated by a trial isotropic harmonic…
Quantum Monte Carlo method is used to look into the superconductivity in the three-leg Hubbard ladder. The enhanced correlation for the pairing across the central and edge chains, which has been predicted in the weak-coupling…
The nature of the ordering of the one-dimensional Heisenberg spin-glass model with a long-range power-law interaction is studied by extensive Monte Carlo simulations, with particular attention to the issue of the spin-chirality…
We consider an effective Hubbard model with spin- and direction-dependent complex hoppings $t$, applied to twisted homobilayer WSe$_2$ using a variational Monte Carlo approach. The electronic correlations are taken into account by applying…
We study the pairing within the Peierls-Hubbard Model for electron- and hole-doped analogs of C$_{60}$ accessible to exact diagonalization techniques (cube, truncated tetrahedron, {\it etc.}). We discuss how inclusion of electron-phonon…
The electronic correlations on a C$_{20}$ molecule, as described by an extended Hubbard Hamiltonian with a nearest neighbor Coulomb interaction of strength $V$, are studied using quantum Monte Carlo and exact diagonalization methods. For…
We present a quantum Monte Carlo study of the hydrogen-benzene system where binding is very weak. We demonstrate that the binding is well described at both variational Monte Carlo (VMC) and diffusion Monte Carlo (DMC) levels by a Jastrow…
An extensive equilibrium Monte Carlo simulation is performed on the 3D isotropic Heisenberg SG model with the random nearest-neighbor Gaussian coupling, with particular interest in its chiral-glass (CG) and spin-glass (SG) orderings. For…
We have performed Monte Carlo simulations to investigate the temperature dependence of the ordering of the side chains of the X-shape liquid crystal molecules which are arranged in a hexagonal array. Each hexagon contains six side chains,…
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…
The effect of dipolar interactions in hexagonal arrays of Ni nanowires has been investigated by means of Monte Carlo simulations combined with a scaling technique, which allows the investigation of the internal structure of the wires. A…
The highly-frustrated spin-1/2 quantum Heisenberg model with both nearest ($J_1$) and next-nearest ($J_2$) neighbor exchange interactions is revisited by using an extended variational space of projected wave functions that are optimized…
We have studied the effect of including nearest-neighbor, electron-electron interactions, in particular the off-diagonal (non density-density) terms, on the spectra of truncated tetrahedral and icosahedral ``Hubbard molecules,'' focusing on…
Accurate numerical solution of the five-body Schrodinger equation is effected via variational Monte Carlo in a correlated quark model. The spectrum is assumed to exhibit a narrow resonance with strangeness S=+1. A fully antisymmetrized and…
We investigate interfacial properties between two highly incompatible polymers of different stiffness. The extensive Monte Carlo simulations of the binary polymer melt yield detailed interfacial profiles and the interfacial tension via an…
We report a systematic study of the weak chemical bond between two benzene molecules. We first show that it is possible to obtain a very good description of the C_2 dimer and the benzene molecule, by using pseudopotentials for the…
We investigate the one-dimensional Hubbard model with a confining potential, which may describe cold fermionic atoms trapped in an optical lattice. Combining the variational Monte Carlo simulations with the new stochastic reconfiguration…