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Sample-based Quantum Diagonalization via Density Matrix Renormalization Group
Abstract
We introduce SqDMRG, which combines sample-based quantum diagonalization (SQD) with the density matrix renormalization group (DMRG). SqDMRG expands the sampled determinant space into a product of fragment spaces constructed from the samples, and solves the Hamiltonian in this product space using DMRG. We demonstrate the method on benzene pentamer and decamer clusters using classical reference samples, and on the pentamer using quantum samples obtained from the IBM Quantum Nighthawk r2 processor ibm phoenix. It achieves sub-kcal/mol accuracy with far fewer configurations than direct diagonalization.
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BibTeX
@misc{sugimoto2026samplebased,
title = {{Sample-based Quantum Diagonalization via Density Matrix Renormalization Group}},
author = {Yuto Sugimoto and Tomonori Shirakawa and Yukio Kawashima and Toshinari Itoko and Seiji Yunoki},
howpublished = {arXiv},
year = {2026},
month = nov,
doi = {10.48550/arxiv.2611.05975},
eprint = {2611.05975},
archivePrefix = {arXiv},
url = {https://arxiv.org/abs/2611.05975},
}
RIS
TY - UNPB
TI - Sample-based Quantum Diagonalization via Density Matrix Renormalization Group
AU - Yuto Sugimoto
AU - Tomonori Shirakawa
AU - Yukio Kawashima
AU - Toshinari Itoko
AU - Seiji Yunoki
PY - 2026
DA - 2026/11/04
PB - arXiv
DO - 10.48550/arxiv.2611.05975
UR - https://arxiv.org/abs/2611.05975
AB - We introduce SqDMRG, which combines sample-based quantum diagonalization (SQD) with the density matrix renormalization group (DMRG). SqDMRG expands the sampled determinant space into a product of fragment spaces constructed from the samples, and solves the Hamiltonian in this product space using DMRG. We demonstrate the method on benzene pentamer and decamer clusters using classical reference samples, and on the pentamer using quantum samples obtained from the IBM Quantum Nighthawk r2 processor ibm phoenix. It achieves sub-kcal/mol accuracy with far fewer configurations than direct diagonalization.
ER -