期刊
NPJ QUANTUM INFORMATION
卷 5, 期 -, 页码 -出版社
SPRINGERNATURE
DOI: 10.1038/s41534-019-0199-y
关键词
-
类别
资金
- Australian Research Council Discovery projects [DP160102426, DP190102633]
We present a quantum algorithm for simulating quantum chemistry with gate complexity (O) over tilde (N-1/3 eta(8/3)) where. is the number of electrons and N is the number of plane wave orbitals. In comparison, the most efficient prior algorithms for simulating electronic structure using plane waves (which are at least as efficient as algorithms using any other basis) have complexity (O)over tilde>(N-1/3 eta(8/3)). We achieve our scaling in first quantization by performing simulation in the rotating frame of the kinetic operator using interaction picture techniques. Our algorithm is far more efficient than all prior approaches when N >>eta, as is needed to suppress discretization error when representing molecules in the plane wave basis, or when simulating without the Born-Oppenheimer approximation.
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