Many-Body Excited States with a Contracted Quantum Eigensolver.
In: Journal of chemical theory and computation, Jg. 20 (2024-05-14), Heft 9, S. 3580-3589
academicJournal
Zugriff:
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 Schrödinger 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 strongly correlated rectangular H 4 system. We show that 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.
Titel: |
Many-Body Excited States with a Contracted Quantum Eigensolver.
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Autor/in / Beteiligte Person: | Smart, SE ; Welakuh, DM ; Narang, P |
Zeitschrift: | Journal of chemical theory and computation, Jg. 20 (2024-05-14), Heft 9, S. 3580-3589 |
Veröffentlichung: | Washington, D.C. : American Chemical Society, c2005-, 2024 |
Medientyp: | academicJournal |
ISSN: | 1549-9626 (electronic) |
DOI: | 10.1021/acs.jctc.4c00030 |
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