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Many-Body Excited States with a Contracted Quantum Eigensolver

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arxiv 2305.09653 v1 pith:BGLZVBMZ submitted 2023-05-16 quant-ph

classification quant-ph
keywords statesexcitedquantumansatzcontractedeigensolverequationes-cqe
verification ladder T0 review T1 audit T2 compute T3 formal

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abstract

Calculating ground and excited states is an exciting prospect for near-term quantum computing applications, and accurate and efficient algorithms are needed to assess viable directions. We develop an excited state approach based on the contracted quantum eigensolver (ES-CQE), which iteratively attempts to find a solution to a contraction of the Schr{\"o}dinger equation projected onto a subspace, and does not require a priori information on the system. We focus on the anti-Hermitian portion of the equation, leading to a two-body unitary ansatz. We investigate the role of symmetries, initial states, constraints, and overall performance within the context of the model rectangular ${\rm H}_4$ system. We show the ES-CQE achieves near-exact accuracy across the majority of states, covering regions of strong and weak electron correlation, while also elucidating challenging instances for two-body unitary ansatz.

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Reviewed papers in the Pith corpus that reference this work. Sorted by Pith novelty score. Full citation record

  1. Quantum Many-body Simulations from a Reinforcement-Learned Exponential Ansatz

    quant-ph 2025-05 conditional novelty 6.0 of 10

    An RL agent trained on the contracted Schrödinger equation residual builds compact exponential ansatz circuits that reach chemical accuracy for H3 and H4 with fewer than 10 two-body operations.

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