Ground states of planar dipolar rotor chains with recurrent neural networks.

J Chem Phys

Department of Chemistry, University of Waterloo, Waterloo, Ontario N2L 3G1, Canada.

Published: June 2024

In this contribution, we employ a recurrent neural network (RNN) architecture in a variational optimization to obtain the ground state of linear chains of planar, dipolar rotors. We test different local basis sets and discuss their impact on the sign structure of the many-body ground state wavefunction. It is demonstrated that the RNN ansatz we employ is able to treat systems with and without a sign problem in the ground state. For larger chains with up to 50 rotors, accurate properties, such as correlation functions and Binder parameters, are calculated. By employing quantum annealing, we show that precise entanglement properties can be obtained. All these properties allow one to identify a quantum phase transition between a paraelectric and a ferroelectric quantum phase.

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http://dx.doi.org/10.1063/5.0205466DOI Listing

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