期刊
JOURNAL OF CHEMICAL PHYSICS
卷 137, 期 22, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.4768229
关键词
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资金
- National Science Foundation Centers for Chemical Innovation (NSF CCI) center [CHE-1037992]
- NSF [PHY-0955518]
- Division Of Chemistry
- Direct For Mathematical & Physical Scien [1037992] Funding Source: National Science Foundation
- Division Of Physics
- Direct For Mathematical & Physical Scien [0955518] Funding Source: National Science Foundation
Quantum simulation is an important application of future quantum computers with applications in quantum chemistry, condensed matter, and beyond. Quantum simulation of fermionic systems presents a specific challenge. The Jordan-Wigner transformation allows for representation of a fermionic operator by O(n) qubit operations. Here, we develop an alternative method of simulating fermions with qubits, first proposed by Bravyi and Kitaev [Ann. Phys. 298, 210 ( 2002); e-print arXiv:quant-ph/0003137v2], that reduces the simulation cost to O( log n) qubit operations for one fermionic operation. We apply this new Bravyi-Kitaev transformation to the task of simulating quantum chemical Hamiltonians, and give a detailed example for the simplest possible case of molecular hydrogen in a minimal basis. We show that the quantum circuit for simulating a single Trotter time step of the Bravyi-Kitaev derived Hamiltonian for H-2 requires fewer gate applications than the equivalent circuit derived from the Jordan-Wigner transformation. Since the scaling of the Bravyi-Kitaev method is asymptotically better than the Jordan-Wigner method, this result for molecular hydrogen in a minimal basis demonstrates the superior efficiency of the Bravyi-Kitaev method for all quantum computations of electronic structure. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4768229]
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