Related papers: Variational Monte Carlo and Configurational Intera…
In this paper we present a determinant quantum monte carlo study of the two dimensional Hubbard model with random site disorder. We show that, as in the case of bond disorder, the system undergoes a transition from an Anderson insulating…
Variational Monte-Carlo calculations are carried out for ${_{\Lambda\Lambda}^4}H$ to explore on the possibility of its existence, using realistic NN, NNN, and phenomenological {\Lambda}N and {\Lambda}NN interactions. We also perform…
The variational Monte Carlo method is used to evaluate the ground-state energy of the confined hydrogen molecule, H_2. Accordingly, we considered the case of hydrogen molecule confined by a hard prolate spheroidal cavity when the nuclear…
We study a system of electrons on a one-dimensional lattice, interacting through the long range Coulomb forces, by means of a variational technique which is the strong coupling analog of the Gutzwiller approach. The problem is thus the…
The interaction between graphene and hexagonal boron nitride (hBN) plays a pivotal role in determining the electronic and structural properties of graphene-based devices. In this work, we employ quantum Monte Carlo (QMC) to study the…
Due to the complex characteristics of bottle-brush polymers, it became a challenge to develop an efficient algorithm for studying such macromolecules under various solvent conditions or some constraints in the space by using computer…
We characterize the three-orbital Hubbard model using state-of-the-art determinant quantum Monte Carlo (DQMC) simulations with parameters relevant to the cuprate high-temperature superconductors. The simulations find that doped holes…
In this article, we report a fully ab initio variational Monte Carlo study of the linear, and periodic chain of Hydrogen atoms, a prototype system providing the simplest example of strong electronic correlation in low dimensions. In…
Quantum Monte Carlo is used to investigate the possibility of d_{x^2-y^2} superconductivity in the two-dimensional repulsive Hubbard model. A small energy scale relevant to possible pairing requires a care (i.e., sufficiently small level…
We present a generalization of the recently proposed variational cluster perturbation theory to extended Hubbard models at half filling with repulsive nearest neighbor interaction. The method takes into account short-range correlations…
We investigate the Kagome lattice Hubbard model at half-filling by variational Monte-Carlo with testing the U(1)-Dirac spin liquid, uniform and valence bond crystal states. Even for the large-$U$ case the U(1) Dirac state, being the optimal…
We present a formulation of the Constrained Path Monte Carlo (CPMC) method for fermions that uses trial wave-functions that include many-body effects. This new formulation allows us to implement a whole family of generalized mean-field…
The fragmentation cross sections of carbon ion beams with kinetic energies of $115 - 353~\text{MeV/u}$ impinging on thin targets of graphite (C), polyvinyl-toluene (C$_9$H$_{10}$) and PMMA (C$_2$O$_5$H$_8$) have been measured at…
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…
Nowadays, there is pressing demand for sustainable energy sources, or clean and 'green' fuel and hydrogen is a perfect candidate. It can be made by dissociating methane with the energy input compensated by metal-hydrogen bond formation.…
Quantum Monte Carlo method is used to re-examine superconductivity in the single-band Hubbard model in two dimensions. Instead of the conventional pairing, we consider a `correlated pairing', $\langle \tilde{c}_{i\uparrow}…
The molecular dissociation energy has often been explained and discussed in terms of singlet bonds, formed by bounded pairs of valence electrons. In this work we use a highly correlated resonating valence bond ansatz, providing a consistent…
Several properties of trapped hard sphere bosons are evaluated using variational Monte Carlo techniques. A trial wave function composed of a renormalized single particle Gaussian and a hard sphere Jastrow function for pair correlations is…
We study a ferromagnetic instability in a single-band Hubbard model on the hypercubic lattice away from half filling. Using dynamical mean-field theory with the continuous-time quantum Monte Carlo simulations based on the segment algorithm,…
We report on the result of quantum Monte Carlo simulation of quasi-one-dimensional electron systems at 1/4-filling, considering organic superconductors such as TMTSF- and TMTTF-salts. We focus on the effect of dimensionality (interchain…