Related papers: Quantum Monte Carlo in the Interaction Representat…
Electron-phonon coupling plays a central role for time-dependent phenomena in condensed matter, for example in photo-excitation experiments. We use the continuous-time quantum Monte Carlo method to study the real-time evolution of charge…
Recently, the stochastic series expansion (SSE) has been proposed as a powerful MC-method, which allows simulations at low $T$ for quantum-spin systems. We show that the SSE allows to compute the magnetic conductance for various…
We performed a finite-temperature quantum Monte Carlo simulation of the one-dimensional spin-1/2 Heisenberg model with nearest-neighbor interaction coupled to Einstein phonons. Our method allows to treat easily up to 100 phonons per site…
A quantum Monte Carlo algorithm for the transverse Ising model with arbitrary short- or long-range interactions is presented. The algorithm is based on sampling the diagonal matrix elements of the power series expansion of the density…
We develop generalization of the fixed-phase diffusion Monte Carlo method for Hamiltonians which explicitly depend on particle spins such as for spin-orbit interactions. The method is formulated in zero variance manner and is similar to…
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…
The Stochastic Series Expansion (SSE) quantum Monte Carlo method with directed loops is very efficient for spin and boson systems. The Heisenberg mode l and its generalizations, such as the $JQ_2$ model, are extensively simulated via this…
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…
A method for Monte Carlo simulation of 2D spin-polarized electron transport in III-V semiconductor heterojunction FETs is presented. In the simulation, the dynamics of the electrons in coordinate and momentum space is treated…
We demonstrate that the ``worm'' algorithm allows very effective and precise quantum Monte Carlo (QMC) simulations of spin systems in a magnetic field, and its auto-correlation time is rather insensitive to the value of H at low…
The stochastic series expansion quantum Monte Carlo method is used to study thin ferromagnetic films, described by a Heisenberg model including local anisotropies. The magnetization curve is calculated, and the results compared to Schwinger…
Based on the canonical Lang-Firsov transformation of the Hamiltonian we develop a very efficient quantum Monte Carlo algorithm for the Holstein model with one electron. Separation of the fermionic degrees of freedom by a reweighting of the…
We extend the continuous-time interaction-expansion quantum Monte Carlo method with respect to measuring observables for fermion-boson lattice models. Using generating functionals, we express expectation values involving boson operators,…
The directed-loop quantum Monte Carlo method is generalized to the case of retarded interactions. Using the path integral, fermion-boson or spin-boson models are mapped to actions with retarded interactions by analytically integrating out…
We consider quantum-to-classical mapping for an arbitrary system of interacting spins at finite temperatures. We prove that, in the large-$S$ limit, the asymptotic form of the partition function coincides with that of a classical model for…
A novel algorithm of Diagrammatic Quantum Monte Carlo in momentum representation is reported in details. New models can be studied with this algorithm. For Bose systems with attractive interaction, the algorithm is free of the well-known…
An efficient Quantum Monte Carlo algorithm for the simulation of bosonic systems on a lattice in a grand canonical ensemble is proposed. It is based on the mapping of bosonic models to the spin models in the limit of the infinite total spin…
Antiferromagnetic Heisenberg spin chains with various spin values ($S=1/2,1,3/2,2,5/2$) are studied numerically with the quantum Monte Carlo method. Effective spin $S$ chains are realized by ferromagnetically coupling $n=2S$…
A spin and phonon excitations spectrum are studied using quantum Monte Carlo method in antiferromagnetic chain with spins $S=1/2$ coupled nonadiabaticity with acoustic phonons . It is found the critical coupling exists to open gap in the…
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…