期刊
JOURNAL OF PHYSICAL CHEMISTRY LETTERS
卷 5, 期 24, 页码 4368-4380出版社
AMER CHEMICAL SOC
DOI: 10.1021/jz501649m
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资金
- Department of Energy Computational Science Graduate Fellowship [DE-FG02-97ER25308]
- National Science Foundation [PHY-0955518, CHE-1152291]
- Air Force Office of Scientific Research [FA9550-12-1-0046]
- Direct For Mathematical & Physical Scien
- Division Of Physics [0955518] Funding Source: National Science Foundation
Accurate prediction of chemical and material properties from first-principles quantum chemistry is a challenging task on traditional computers. Recent developments in quantum computation offer a route toward highly accurate solutions with polynomial cost; however, this solution still carries a large overhead. In this Perspective, we aim to bring together known results about the locality of physical interactions from quantum chemistry with ideas from quantum computation. We show that the utilization of spatial locality combined with the Bravyi-Kitaev transformation offers an improvement in the scaling of known quantum algorithms for quantum chemistry and provides numerical examples to help illustrate this point. We combine these developments to improve the outlook for the future of quantum chemistry on quantum computers.
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