Related papers: Path Integral Monte Carlo Study of a Model 2D Quan…
In any valid Monte Carlo sampling that realizes microcanonical property we can collect statistics for a transition matrix in energy. This matrix is used to determine the density of states, from which most of the thermodynamical averages can…
We study the finite-temperature behaviour of two-dimensional S=1/2 Heisenberg antiferromagnets with very weak easy-axis and easy-plane exchange anisotropies. By means of quantum Monte Carlo simulations, based on the continuous-time loop and…
Accurate ab initio calculations of 3d transition metal monoxide molecules have attracted extensive attention because of its relevance in physical and chemical science, as well as theoretical challenges in treating strong electron…
Quantum Monte Carlo simulations offer an unbiased means to study the static and dynamic properties of quantum critical systems, while quantum field theory provides direct analytical results. We study three dimensional, critical quantum…
Orthorhombically distorted perovskite manganites, RMnO3 with R being a trivalent rare-earth ion, exhibit a variety of magnetic and electric phases including multiferroic (i.e. concurrently magnetic and ferroelectric) phases and fascinating…
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 review the pertinent features of the phase diagram of the zero-field Blume-Capel model, focusing on the aspects of transition order, finite-size scaling and universality. In particular, we employ a range of Monte Carlo simulation methods…
Path integral Monte Carlo approach is used to study the coupled quantum dynamics of the electron and nuclei in hydrogen molecule ion. The coupling effects are demonstrated by comparing differences in adiabatic Born--Oppenheimer and…
Previous experiments with BaTiO$_3$ single crystals have shown that application of the electric field in the vicinity of the ferroelectric phase transition can be used to introduce peculiar persisting ferroelectric domain walls, accompanied…
Monte Carlo studies involving real time dynamics are severely restricted by the sign problem that emerges from highly oscillatory phase of the path integral. In this letter, we present a new method to compute real time quantities on the…
We propose an order-disorder type microscopic model for BaTiO$_3$-like Ferroelectric Substance. Our model has three phase transitions and four phases. The symmetry and directions of the polarizations of the ordered phases agree with the…
We give an introduction to the calculation of path integrals on a lattice, with the quantum harmonic oscillator as an example. In addition to providing an explicit computational setup and corresponding pseudocode, we pay particular…
We extend the Worldline Monte Carlo approach to computationally simulating the Feynman path integral of non-relativistic multi-particle quantum-mechanical systems. We show how to generate an arbitrary number of worldlines distributed…
A Monte Carlo algorithm is proposed to simulate ferromagnetic q-state Potts model for any real q>0. A single update is a random sequence of disordering and deterministic moves, one for each link of the lattice. A disordering move attributes…
Recent experiments have demonstrated that light can induce a transition from the quantum paraelectric to the ferroelectric phase of SrTiO$_3$. Here, we investigate this terahertz field-induced ferroelectric phase transition by solving the…
We compute transport and thermodynamic properties of a two-band spin-fermion model describing itinerant fermions in two dimensions interacting via $Z_2$ antiferromagnetic quantum critical fluctuations by means of a sign-problem-free quantum…
We study a soliton in an optical lattice holding bosonic atoms quantum mechanically using both an exact numerical solution and quantum Monte Carlo simulations. The computation of the state is combined with an explicit account of the…
Path integral quantum Monte Carlo (PIMC) is a method for estimating thermal equilibrium properties of stoquastic quantum spin systems by sampling from a classical Gibbs distribution using Markov chain Monte Carlo. The PIMC method has been…
The appearance of spontaneous polarization in CuInP$_{2}$S$_{6}$ ferrielectrics is related to the second order Jahn-Teller effect for copper cations located in a double-well local potential, the stereoactivity of indium cations located in a…
Motivated by recent attempts to quantum simulate lattice models with continuous Abelian symmetries using discrete approximations, we define an extended-O(2) model by adding a $\gamma \cos(q\varphi)$ term to the ordinary O(2) model with…