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International Journal of Theoretical Physics

Tensor products and probability weights

Matthias P. Kl�y, Charles H. Randall, David J. Foulis

Published Mar 1, 1987• 66 citations
Publisher
DOI
10.1007/bf00668911

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The task of computing wavefunctions that are accurate, yet simple enough mathematical objects to use for reasoning, has long been a challenge in quantum chemistry. The difficulty in drawing physical conclusions from a wavefunction is often related to the generally large number of configurations with similar weights. In Tensor Product Selected Configuration Interaction (TPSCI), we use a locally correlated tensor product state basis, which has the effect of concentrating the weight of a state onto a smaller number of physically interpretable degrees of freedom. In this paper, we apply TPSCI to a series of three molecular systems ranging in separability, one of which is the first application of TPSCI to an open-shell bimetallic system. For each of these systems, we obtain accurate solutions to large active spaces, and analyze the resulting wavefunctions through a series of different approaches including (i) direct inspection of the TPS basis coefficients, (ii) construction of Bloch effective Hamiltonians, and (iii) computation of cluster correlation functions.
Modeling joint probability distributions over sequences has been studied from many perspectives. The physics community developed matrix product states, a tensor-train decomposition for probabilistic modeling, motivated by the need to tractably model many-body systems. But similar models have also been studied in the stochastic processes and weighted automata literature, with little work on how these bodies of work relate to each other. We address this gap by showing how stationary or uniform versions of popular quantum tensor network models have equivalent representations in the stochastic processes and weighted automata literature, in the limit of infinitely long sequences. We demonstrate several equivalence results between models used in these three communities: (i) uniform variants of matrix product states, Born machines and locally purified states from the quantum tensor networks literature, (ii) predictive state representations, hidden Markov models, norm-observable operator models and hidden quantum Markov models from the stochastic process literature,and (iii) stochastic weighted automata, probabilistic automata and quadratic automata from the formal languages literature. Such connections may open the door for results and methods developed in one area to be applied in another.
We determine conditions on classical group algebra codes so that they have pre-orientation for cup products and copy-cup gates. This defines quantum codes that have constant-depth CZ⁡\operatorname{CZ}CZ and CCZ⁡\operatorname{CCZ}CCZ gates constructed via tensor products of classical group algebra codes, including hypergraph and balanced products. We show that determining the conditions relies on solving the perfect matching problem in graph theory. Conditions are fully determined for the 2- and 3-copy-cup gates, for group algebra codes up to weight 4, including for codes with odd check weight. These include the bivariate bicycle codes, which we show do not have the pre-orientation for either type of copy-cup gate. We show that abelian weight 4 group algebra codes satisfying the non-associative 3-copy-cup gate necessarily have a code distance of 2, whereas codes that satisfy conditions for the symmetric 3-copy-cup gate can have higher distances, and in fact also satisfy conditions for the 2-copy-cup gate. Finally we find examples of quantum codes from the product of abelian group algebra codes that have inter-code constant-depth CZ⁡\operatorname{CZ}CZ and CCZ⁡\operatorname{CCZ}CCZ gates.