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Unbiasing fermionic auxiliary-field quantum Monte Carlo with matrix product state trial wavefunctions

In this work, we report, for the first time, an implementation of fermionic auxiliary-field quantum Monte Carlo (AFQMC) using matrix product state (MPS) trial wavefunctions, dubbed MPS-AFQMC. Calculating overlaps between an MPS trial and arbitrary Slater determinants up to a multiplicative error, a...

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Váldodahkkit: Tong Jiang, Bryan O'Gorman, Ankit Mahajan, Joonho Lee
Materiálatiipa: Artigo
Giella:Inglês
Almmustuhtton: American Physical Society 2025-01-01
Ráidu:Physical Review Research
Liŋkkat:http://doi.org/10.1103/PhysRevResearch.7.013038
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