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Journal of Statistical Physics

Theory of irreversible processes in nonequilibrium quantum systems. II. Cluster expansions with contraction for homogenous systems

Tomio Yamakoshi Petrosky

Published Oct 1, 1979• 2 citations
Publisher
DOI
10.1007/bf01009608

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Cumulant approach to the direct calculation of reduced density matrices: A critical analysis

Marcel Nooijen, Mark Wladyslawski, Anirban Hazra

In this paper we address a number of topics regarding the contracted Schrödinger equation (CSE): (i) The cumulant expansion of reduced density matrices (RDMs), and the reduction of the CSE to a connected form. (ii) The comparison of the resulting formalism to coupled cluster theory. (iii) The direct calculation of the two-particle RDM in terms of the cumulants, without explicitly imposing any N-representability conditions. We explore a number of approximations, the most elaborate of which is the 3,5-CSE in which the cumulant expansion is carried out to the three-particle level, and the only approximation made is to equate the four- and five-particle cumulants to zero. Overall the numerical results we present for selected small model systems are found to be disappointing and we provide a critical analysis of the perceived shortcomings of our cumulant approach to the CSE.

The Journal of Chemical Physics•Feb 28, 2003•42 citations
Tensor network contraction on arbitrary graphs is a fundamental computational challenge with applications ranging from quantum simulation to error correction. While belief propagation (BP) provides a powerful approximation algorithm for this task, its accuracy limitations are poorly understood and systematic improvements remain elusive. Here, we develop a rigorous theoretical framework for BP in tensor networks, leveraging insights from statistical mechanics to devise a \emph{cluster expansion} that systematically improves the BP approximation. We prove that the cluster expansion converges exponentially fast if an object called the \emph{loop contribution} decays sufficiently fast with the loop size, giving a rigorous error bound on BP. We also provide a simple and efficient algorithm to compute the cluster expansion to arbitrary order. We demonstrate the efficacy of our method on the two-dimensional Ising model, where we find that our method significantly improves upon BP and existing corrective algorithms such as loop series expansion. Our work opens the door to a systematic theory of BP for tensor networks and its applications in decoding classical and quantum error-correcting codes and simulating quantum systems.
In this paper we address a number of topics regarding the contracted Schrödinger equation (CSE): (i) The cumulant expansion of reduced density matrices (RDMs), and the reduction of the CSE to a connected form. (ii) The comparison of the resulting formalism to coupled cluster theory. (iii) The direct calculation of the two-particle RDM in terms of the cumulants, without explicitly imposing any N-representability conditions. We explore a number of approximations, the most elaborate of which is the 3,5-CSE in which the cumulant expansion is carried out to the three-particle level, and the only approximation made is to equate the four- and five-particle cumulants to zero. Overall the numerical results we present for selected small model systems are found to be disappointing and we provide a critical analysis of the perceived shortcomings of our cumulant approach to the CSE.