The DOI matches its Crossref record; 22 of the 22 references it cites were found in a registry or an index.
Increasing the Representation Accuracy of Quantum Simulations of Chemistry without Extra Quantum Resources
Open accessAbstract
Proposals for experiments in quantum chemistry on quantum computers leverage the ability to target a subset of degrees of freedom containing the essential quantum behavior, sometimes called the active space.This approximation allows one to treat more difficult problems using fewer qubits and lower gate depths than would otherwise be possible.However, while this approximation captures many important qualitative features, it may leave the results wanting in terms of absolute accuracy (basis error) of the representation.In traditional approaches, increasing this accuracy requires increasing the number of qubits and an appropriate increase in circuit depth as well.Here we explore two techniques requiring no additional qubits or circuit depth that are able to remove much of this approximation in favor of additional measurements.The techniques are constructed and analyzed theoretically, and some numerical proof-of-concept calculations are shown.As an example, we show how to achieve the accuracy of a 20-qubit representation using only four qubits and a modest number of additional measurements for a hydrogen molecule.We close with an outlook on the impact such techniques may have on both near-term and fault-tolerant quantum simulations.
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Cites
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Cited by
Variational quantum algorithms
Cerezo, M., Arrasmith, A., Babbush, R., Benjamin, S. C., Endo, S., Fujii, K., McClean, J. R., Mitarai, K., Yuan, X., Cincio, L., et al. (2021) · Nature Reviews Physics · doi:10.1038/s42254-021-00348-9 · Cited by 3,385
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Quantum computational chemistry
McArdle, S., Endo, S., Aspuru-Guzik, A., Benjamin, S. C., & Yuan, X. (2020) · Reviews of Modern Physics · doi:10.1103/revmodphys.92.015003 · Cited by 1,621
The Variational Quantum Eigensolver: A review of methods and best practices
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Quantum Algorithms for Quantum Chemistry and Quantum Materials Science
Bauer, B., Bravyi, S., Motta, M., & Chan, G. K.-L. (2020) · Chemical Reviews · doi:10.1021/acs.chemrev.9b00829 · Cited by 848
Metadata
- Authors
- Takeshita, T., Rubin, N. C., Jiang, Z., Lee, E., Babbush, R., & McClean, J. R.
- Venue
- Physical Review X
- Publisher
- American Physical Society (APS)
- Published
- 2020-01-07
- Volume
- 10
- Issue
- 1
- ISSN
- 2160-3308 (ISSN-L)
- OpenAlex
- W2999682805
- Cited by
- 165
- References
- 22
- FWCI
- 9.38
- Type
- journal article
- Language
- en
- Open access
- gold
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