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arXiv:cond-mat/9310053 · Physical Review Letters

Smooth boundary conditions for quantum lattice systems

Marco Vekić, Steven R. White

Published Dec 27, 1993• 63 citations
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Abstract

We introduce a new type of boundary conditions, smooth boundary conditions, for numerical studies of quantum lattice systems. In a number of circumstances, these boundary conditions have substantially smaller finite-size effects than periodic or open boundary conditions. They can be applied to nearly any short-ranged Hamiltonian system in any dimensionality and within almost any type of numerical approach.

DOI
10.1103/physrevlett.71.4283

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We introduce a new type of boundary conditions, smooth boundary conditions, for numerical studies of quantum lattice systems. In a number of circumstances, these boundary conditions have substantially smaller finite-size effects than periodic or open boundary conditions. They can be applied to nearly any short-ranged Hamiltonian system in any dimensionality and within almost any type of numerical approach.
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In quantum lattice models, in the large-NNN limit, boundary conditions have little effect upon local observables for sites in the centers of the lattices. In this paper, we will study the boundary effects upon multipartite nonlocality (a kind of multipartite quantum correlation associated with Bell-type inequalities) in one-dimensional finite-size spin chains, both for zero temperature and for finite temperatures. We define a quantity $\frac{\ensuremath{\delta}\mathcal{S}}{\mathcal{S}}$ to characterize the boundary effects, where S\mathcal{S}S is a measure of global multipartite nonlocality of the entire lattice, and $\ensuremath{\delta}\mathcal{S}$ is the difference of the measure induced by changing the boundary conditions. We find $\frac{\ensuremath{\delta}\mathcal{S}}{\mathcal{S}}$ does not vanish in the large-NNN limit. Instead, at zero temperature, with the increase of NNN, $\frac{\ensuremath{\delta}\mathcal{S}}{\mathcal{S}}$ would increase steadily in the vicinity of the quantum phase transition point of the models, and converge to a nonzero constant in noncritical regions. It shows clearly that boundary effects generally exist, in the form of multipartite correlations, in long chains. The boundary effects are explained by the competition between the two orders of the models. In addition, based on these numerical results, we construct a Bell inequality, which is violated by chains with periodic (closed) boundary conditions and not violated by chains with open boundary conditions. Furthermore, we study $\frac{\ensuremath{\delta}{\mathcal{S}}_{T}}{{\mathcal{S}}_{T}}$ of finite-size chains at finite temperatures, and show that boundary effects survive in finite temperature regions.
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