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Many-Body Excited States with a Contracted Quantum Eigensolver
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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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Cited by 1 Pith paper
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Quantum Many-body Simulations from a Reinforcement-Learned Exponential Ansatz
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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