Fermionic tensor network contraction for arbitrary geometries
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1.
California Institute of Technology
Abstract
We describe our implementation of fermionic tensor network contraction on arbitrary lattices within both a globally ordered and a locally ordered formalism. We provide a pedagogical description of these two conventions as implemented for the quimb library. Using hyperoptimized approximate contraction strategies, we present benchmark fermionic projected entangled pair state simulations of finite Hubbard models defined on the three-dimensional diamond lattice and random regular graphs.
Copyright and License
Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article’s title, journal citation, and DOI.
Acknowledgement
The initial development of this library by Y.G. and H.Z. that used the pyblock3 fermionic sparse tensor library [50,51], was supported by the U.S. National Science Foundation through Grant No. CHE-2102505. The subsequent symmray implementation by J.G. (now the default implementation in quimb) was supported by the Quantum Utility through Advanced Quantum Computational Algorithms Center, funded by the U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research, through Grant No. DE-SC0025572.
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Additional details
- National Science Foundation
- CHE-2102505
- United States Department of Energy
- DE-SC0025572
- Accepted
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2025-05-15
- Caltech groups
- Division of Chemistry and Chemical Engineering (CCE), Division of Engineering and Applied Science (EAS)
- Publication Status
- Published