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pith:2026:D5EX6VCGA7EB3QEJBCZZP5SB4P
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Quantum simulation of nanographenes and Trotter error cancellation

Andreas Juul Bay-Smidt, Earl T. Campbell, Gemma C. Solomon, Marcel D. Fabian, Nick S. Blunt, Nina Glaser

Trotter error cancels for energy differences in nanographene simulations, cutting circuit depth by an order of magnitude.

arxiv:2605.00745 v2 · 2026-05-01 · quant-ph

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Claims

C1strongest claim

We observe a Trotter error cancellation phenomenon whereby the Trotter error for energy differences between low-lying eigenstates is significantly smaller than the Trotter error for absolute energies, resulting in approximately an order of magnitude circuit depth reduction for quantum phase estimation calculation of energy gaps.

C2weakest assumption

The tensor-network-based approach correctly estimates Trotter eigenvalue errors for systems beyond brute-force calculation, as used to obtain the spectral analysis and resource estimates for nanographenes up to 140 spin orbitals.

C3one line summary

Trotter error cancellation in nanographene simulations reduces circuit depth by about 10x for quantum phase estimation of energy gaps to chemical accuracy in the Pariser-Parr-Pople model.

References

105 extracted · 105 resolved · 2 Pith anchors

[1] P. Hohenberg and W. Kohn, Inhomogeneous electron gas, Phys. Rev.136, B864 (1964) 1964
[2] W. Kohn and L. J. Sham, Self-consistent equations in- cluding exchange and correlation effects, Phys. Rev.140, A1133 (1965) 1965
[3] A. J. Cohen, P. Mori-S´ anchez, and W. Yang, Insights into current limitations of density functional theory, Science 321, 792 (2008) 2008
[4] K. Burke, Perspective on density functional theory, J. Chem. Phys.136, 150901 (2012) 2012
[5] N. Mardirossian and M. Head-Gordon, Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density func- tionals, Mol. Phys.115, 2315 (2017) 2017

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First computed 2026-05-20T00:01:42.453230Z
Builder pith-number-builder-2026-05-17-v1
Signature Pith Ed25519 (pith-v1-2026-05) · public key
Schema pith-number/v1.0

Canonical hash

1f497f544607c81dc08908b397f641e3fb1e0890c8dd62f5c0a451c5a5a5e171

Aliases

arxiv: 2605.00745 · arxiv_version: 2605.00745v2 · doi: 10.48550/arxiv.2605.00745 · pith_short_12: D5EX6VCGA7EB · pith_short_16: D5EX6VCGA7EB3QEJ · pith_short_8: D5EX6VCG
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curl -sH 'Accept: application/ld+json' https://pith.science/pith/D5EX6VCGA7EB3QEJBCZZP5SB4P \
  | jq -c '.canonical_record' \
  | python3 -c "import sys,json,hashlib; b=json.dumps(json.loads(sys.stdin.read()), sort_keys=True, separators=(',',':'), ensure_ascii=False).encode(); print(hashlib.sha256(b).hexdigest())"
# expect: 1f497f544607c81dc08908b397f641e3fb1e0890c8dd62f5c0a451c5a5a5e171
Canonical record JSON
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    "primary_cat": "quant-ph",
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