pith:HL4XHPRE
Unified adiabatic and diabatic excited-state description via the ensemble-variational quantum eigensolver
A parameterized basis transformation generalizes the ensemble-variational quantum eigensolver to three or more coupled electronic states.
arxiv:2604.17317 v2 · 2026-04-19 · quant-ph
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Claims
The aim of the present paper is to show how and under what conditions this can be generalized to models that involve three coupled electronic states or more. Our approach relies on designing a parameterized basis transformation that can directly be implemented on a quantum computer for further post-treatment.
That an algebraic optimization strategy for the parameters of the basis transformation will reliably produce the target eigenstates and optimally diabatic states for systems with three or more coupled states without prohibitive scaling or convergence issues on quantum hardware.
The ensemble-variational quantum eigensolver is generalized to three or more coupled states via a quantum-implementable parameterized basis transformation, yielding both adiabatic eigenstates and optimally diabatic states, demonstrated on the first three states of H4+.
Receipt and verification
| First computed | 2026-05-21T01:04:25.924971Z |
|---|---|
| Builder | pith-number-builder-2026-05-17-v1 |
| Signature | Pith Ed25519
(pith-v1-2026-05) · public key |
| Schema | pith-number/v1.0 |
Canonical hash
3af973be240771373db7dc4db014d38e8580d5c769be36e1b66fac5a631b7479
Aliases
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curl -sH 'Accept: application/ld+json' https://pith.science/pith/HL4XHPREA5YTOPNX3RG3AFGTR2 \
| 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())"
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Canonical record JSON
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