期刊
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
卷 16, 期 10, 页码 6091-6097出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jctc.0c00113
关键词
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资金
- NSF [DMR-1747426, 1820747]
- U.S Department of Energy [A053685]
- Department of Energy-Office of Science, Office of Advanced Scientific Computing Research, under the Quantum Computing Application Teams program [1979657]
- IBM Research Frontiers Institute
- Direct For Mathematical & Physical Scien
- Division Of Physics [1820747] Funding Source: National Science Foundation
Simulating molecules is believed to be one of the early stage applications for quantum computers. Current state-ofthe-art quantum computers are limited in size and coherence; therefore, optimizing resources to execute quantum algorithms is crucial. In this work, we develop the second quantization representation of spatial symmetries, which are then transformed to their qubit operator representation. These qubit operator representations are used to reduce the number of qubits required for simulating molecules. We present our results for various molecules and elucidate a formal connection of this work with a previous technique that analyzed generic Z(2) Pauli symmetries.
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