Related papers: Higher Order Auxiliary Field Quantum Monte Carlo M…
Quantum Monte Carlo (QMC) methods are some of the most accurate methods for simulating correlated electronic systems. We investigate the compatibility, strengths and weaknesses of two such methods, namely, diffusion Monte Carlo (DMC) and…
The quantitative description of long-range order remains a challenge in quantum many-body physics. We provide zero-temperature results from two complementary methods for the ground-state energy per site, the sublattice magnetization, the…
The local form of higher-spin equations found recently to the second order [1] is shown to properly reproduce the anticipated $AdS/CFT$ correlators for appropriate boundary conditions. It is argued that consistent $AdS/CFT$ holography for…
We study efficiency of higher order integrator schemes for the hybrid Monte Carlo (HMC) algorithm. Numerical tests are performed for Quantum Chromo Dynamics (QCD) with two flavors of Wilson fermions. We compare 2nd, 4th and 6th order…
The extended Hubbard model in the atomic limit (AL-EHM) on a square lattice with periodic boundary conditions is studied with use of the Monte Carlo (MC) method. Within the grand canonical ensemble the phase and order-order boundaries for…
We present a new algorithm for quantum Monte Carlo simulation based on global updating with loops. While various theoretical predictions are confirmed in one dimension, we find, for S=1 systems on a square lattice with an antiferromagnetic…
High order perturbation theory has seen an unexpected recent revival for controlled calculations of quantum many-body systems, even at strong coupling. We adapt integration methods using low-discrepancy sequences to this problem. They…
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 phaseless auxiliary-field quantum Monte Carlo (ph-AFQMC) method is a stochastic imaginary-time projection technique for computing ground-state properties of strongly correlated quantum systems, with accuracy that depends critically on…
We report on the most recent applications of the Auxiliary Field Diffusion Monte Carlo (AFDMC) method. The equation of state (EOS) for pure neutron matter in both normal and BCS phase and the superfluid gap in the low--density regime are…
We report on the first results for the second-order perturbation theory correction to the ground-state energy of a nuclear many-body system in a continuum quantum Monte Carlo calculation. Second-order (and higher) perturbative corrections…
We investigate the phase diagram and the mechanism for the sign problem to appear in finite density QCD at strong coupling in a combined framework of the auxiliary field Monte-Carlo (AFMC) and the chiral angle fixing (CAF) methods. When…
We study ground-state properties of the two-dimensional Hubbard model at half filling by improving variational Monte Carlo method and by implementing quantum-number projection and multi-variable optimization. The improved variational wave…
We introduce new affine invariant ensemble Markov chain Monte Carlo (MCMC) samplers that are easy to construct and improve upon existing methods, especially for high-dimensional problems. We first propose a simple derivative-free side move…
We present three distinct examples where phaseless auxiliary-field Quantum Monte Carlo (ph-AFQMC) can be reliably performed with a single-determinant trial wavefunction with essential symmetry breaking. We first utilized essential…
The Monte Carlo method is a thriving and mathematically beautiful numerical technique used extensively, nowadays, to deal with many demanding problems in diverse fields. Here, we present an iterative Monte Carlo algorithm to work out very…
Modified Hamiltonian Monte Carlo (MHMC) methods combine the ideas behind two popular sampling approaches: Hamiltonian Monte Carlo (HMC) and importance sampling. As in the HMC case, the bulk of the computational cost of MHMC algorithms lies…
The chromium dimer (Cr2) presents an outstanding challenge for many-body electronic structure methods. Its complicated nature of binding, with a formal sextuple bond and an unusual potential energy curve, is emblematic of the competing…
The phaseless Auxiliary Field Quantum Monte Carlo method provides a well established approximation scheme for accurate calculations of ground state energies of many-fermions systems. Here we apply the method to the calculation of imaginary…
Quantum Selected Configuration Interaction (QSCI) and an extended protocol known as Sample-based Quantum Diagonalization (SQD) have emerged as promising algorithms to solve the electronic Schr\"odinger equation with noisy quantum computers.…