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Quantum Monte Carlo method for the ground state of many-boson systems

Wirawan Purwanto·Shiwei Zhang
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Abstract

We formulate a quantum Monte Carlo (QMC) method for calculating the ground state of many-boson systems. The method is based on a field-theoretical approach, and is closely related to existing fermion auxiliary-field QMC methods which are applied in several fields of physics. The ground-state projection is implemented as a branching random walk in the space of permanents consisting of identical single-particle orbitals. The method is in principle exact. We illustrate this method with a trapped atomic boson gas, where the atoms interact via an attractive or repulsive contact two-body potential. We choose as the single-particle basis a real-space grid. We compare with exact results in small systems, and arbitrarily-sized systems of untrapped bosons with attractive interactions in one dimension, where analytical solutions exist. We also compare with the corresponding Gross-Pitaevskii (GP) mean-field calculations for trapped atoms, and discuss the close formal relation between our method and the GP approach. Our method provides a way to systematically improve upon GP while using the same framework, capturing interaction and correlation effects with a stochastic, coherent ensemble of non-interacting solutions. We discuss various algorithmic issues, including importance sampling and the back-propagation technique for computing observables, and illustrate them with numerical studies. We show results for systems with up to N ~ 400 bosons.

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Wirawan Purwanto, Shiwei Zhang. 2004-03-31. Quantum Monte Carlo method for the ground state of many-boson systems. https://doi.org/10.1103/physreve.70.056702

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