Related papers: A Constrained Path Quantum Monte Carlo Method for …
When one tries to simulate quantum spin systems by the Monte Carlo method, often the 'minus-sign problem' is encountered. In such a case, an application of probabilistic methods is not possible. In this paper the method has been proposed…
Ground state properties of multi-orbital Hubbard models are investigated by the auxiliary field quantum Monte Carlo method. A Monte Carlo technique generalized to the multi-orbital systems is introduced and examined in detail. The algorithm…
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 discuss differences and similarities between variational Monte Carlo approaches that use conventional and artificial neural network parameterizations of the ground-state wave function for systems of fermions. We focus on a relatively…
Among many types of quantum entanglement properties, the entanglement spectrum provides more abundant information than other observables. Exact diagonalization and density matrix renormalization group method could handle the system in…
We show how symmetry properties can be used to greatly increase the accuracy and efficiency in auxiliary-field quantum Monte Carlo (AFQMC) calculations of electronic systems. With the Hubbard model as an example, we study symmetry…
The continuous imaginary-time quantum Monte Carlo method with the worm update algorithm is applied to explore the ground state properties of the spin-1/2 Heisenberg model with antiferromagnetic (AF) coupling $J>0$ and ferromagnetic (F)…
It has been a long sought goal of Quantum Simulation to find answers to long standing questions in condensed matter physics. A famous example is the ground and the excitations of 2D Hubbard model with strong repulsion below half filling.…
An extension to the multiple-histogram method (sometimes referred to as the Ferrenberg-Swendsen method) for use in quantum Monte Carlo simulations is presented. This method is shown to work well for the 2D repulsive Hubbard model, allowing…
We study the ground-state phase transitions of quasi-one-dimensional quantum Heisenberg antiferromagnets by the quantum Monte Carlo method with the continuous-time loop algorithm and finite-size scaling. For a model which consists of S=1…
The auxiliary-field quantum Monte Carlo (AFQMC) method is a general numerical method for correlated many-electron systems, which is being increasingly applied in lattice models, atoms, molecules, and solids. Here we introduce the theory and…
Simulating strongly correlated fermionic systems is notoriously hard on classical computers. An alternative approach, as proposed by Feynman, is to use a quantum computer. Here, we discuss quantum simulation of strongly correlated fermionic…
We propose a new scheme to implement the self-consistent optimization of the trial wave-function in constrained path auxiliary field Quantum Monte Carlo (CP-AFQMC) in the framewok of natural orbitals. In this scheme, a new trial…
We consider two-component fermions on the lattice in the unitarity limit. This is an idealized limit of attractive fermions where the range of the interaction is zero and the scattering length is infinite. Using Euclidean time projection,…
Variational algorithms for strongly correlated chemical and materials systems are one of the most promising applications of near-term quantum computers. We present an extension to the variational quantum eigensolver that approximates the…
We show that the recently developed phaseless auxiliary-field quantum Monte Carlo (AFQMC) method can be used to study excited states, providing an alternative to standard quantum chemistry methods. The phaseless AFQMC approach, whose…
Here, a dichotomy of particles and waves is employed in a quantum Monte Carlo calculation of interacting electrons. Through the creation and propagation of concurrent stochastic ensembles of walkers in physical space and in Hilbert space…
We present a new quantum Monte Carlo algorithm suitable for generically complex problems, such as systems coupled to external magnetic fields or anyons in two spatial dimensions. We find that the choice of gauge plays a nontrivial role, and…
We explore correlated electron states in harmonically confined few-electron quantum dots in an external magnetic field by the path-integral Monte Carlo method for a wide range of the field and the Coulomb interaction strength. Using the…
The time dependent quantum Monte Carlo method for fermions is introduced and applied for calculation of entanglement of electrons in one-dimensional quantum dots with several spin-polarized and spin-compensated electron configurations. The…