Related papers: Hybrid Quantum-Classical Monte-Carlo Study of a Mo…
Theoretical prediction of the 2nd-order magnetic transition temperature (TM) used to be arduous. Here, we develop a first principle-based, fully automatic structure-to-TM method for two-dimensional (2D) magnets whose effective Hamiltonians…
The doped Fullerides can be well described by a Hubbard model, which comprises the partly filled, threefold-degenerate t_1u orbital and the on-site Coulomb interaction U. The orbital degeneracy is known to shift the critical ratio U_c/W for…
Using the constrained-path Monte Carlo method, a two-orbital model for the pnictide superconductors is studied at half filling and in both the electron- and hole-doped cases. At half filling, a stable $(\pi,0)$/$(0,\pi)$ magnetic order is…
We present a universal quantum Monte Carlo algorithm for simulating arbitrary high-spin (spin greater than 1/2) Hamiltonians, based on the recently developed permutation matrix representation (PMR) framework. Our approach extends a…
We present a hybrid method for time-dependent particle transport problems that combines Monte Carlo (MC) estimation with deterministic solutions based on discrete ordinates. For spatial discretizations, the MC algorithm computes a piecewise…
Phase diagram and critical properties are studied for three-dimensional double exchange model with and without quenched disorder. Employing the Monte Carlo method and the systematic analysis on the finite-size effect, we estimate the Curie…
We consider the Kane-Mele-Hubbard model with a magnetic $\pi$ flux threading each honeycomb plaquette. The resulting model has remarkably rich physical properties. In each spin sector, the noninteracting band structure is characterized by a…
The coupled cluster method (CCM) is applied to the spin-one anisotropic Heisenberg antiferromagnet (HAF) on the square lattice at zero temperature using a new high-order CCM ground-state formalism for general quantum spin number ($s \ge…
A quantum Monte Carlo method with non-local update scheme is presented. The method is based on a path-integral decomposition and a worm operator which is local in imaginary time. It generates states with a fixed number of particles and…
Critical behavior of the quantum phase transition of a site-diluted Heisenberg antiferromagnet on a square lattice is investigated by means of the quantum Monte Carlo simulation with the continuous-imaginary-time loop algorithm. Although…
Quantum Monte Carlo (QMC) methods have proven invaluable in condensed matter physics, particularly for studying ground states and thermal equilibrium properties of quantum Hamiltonians without a sign problem. Over the past decade,…
We describe a Monte Carlo simulation study of the magnetic phase diagram of diluted magnetic semiconductors doped with shallow impurities in the low concentration regime. We show that because of a wide distribution of interaction strengths,…
We perform a comprehensive analysis of the quantum-enhanced Monte Carlo method [Nature, 619, 282-287 (2023)], aimed at identifying the optimal working point of the algorithm. We observe an optimal mixing Hamiltonian strength and analyze the…
We introduce a Quantum Monte Carlo (QMC) method which efficiently simulates in a sign-problem-free way a broad class of frustrated $S=1/2$ models with competing antiferromagnetic interactions. Our scheme uses the basis of total spin…
An efficient O(N) cluster Monte Carlo method for Ising models with long-range interactions is presented. Our novel algorithm does not introduce any cutoff for interaction range and thus it strictly fulfills the detailed balance. The…
In this work, a study of the magnetic behavior of the spinel ZnFe2O4 is presented by using the Monte Carlo simulations (MCS). The iron atoms provide the magnetism in this material. In fact, the magnetic spin of moment of the Fe3+ ions is…
The anisotropic degenerate two-orbital Hubbard model is studied within dynamical mean-field theory at low temperatures. High-precision calculations on the basis of a refined quantum Monte Carlo (QMC) method reveal that two distinct…
Auxiliary field quantum Monte Carlo methods for Hubbard models are generally based on a Hubbard-Stratonovitch transformation where the field couples to the z-component of the spin. This transformation breaks SU(2) spin invariance. The…
A Monte Carlo scheme is described where the secondary electron generation has been incorporated. The initial position of a secondary electron due to Fermi sea excitation is assumed to be where the inelastic collision took place, while the…
Using a cluster-flipping Monte Carlo algorithm combined with a generalization of the histogram reweighting scheme of Ferrenberg and Swendsen, we have studied the equilibrium properties of the thermal random-field Ising model on a cubic…