论文标题
具有最大通勤初始汉顿的分子能量的量子zeno方法
Quantum Zeno approach for molecular energies with maximum commuting initialHamiltonians
论文作者
论文摘要
我们建议使用量子绝热和模拟的解放框架来计算小分子的地面状态。我们的算法的最初哈密顿量被认为是最大通勤的哈密顿量，其中包括在保利的基础上，在富汉顿分子中的最大通勤术语组成。我们考虑两个变体。在第一种方法中，Weper-weperform在获得的时间或路径依赖性的哈密顿量（以最大通勤哈密顿量的基态状态）上获得的绝热进化。然而，这方法遇到了由于沿汉密尔顿路径的堕落和能源级穿越而导致绝热量子计算的通常问题。 ZENO方法（即，通过量子模拟退火中使用的一系列本征态投影）来缓解这个问题，而Pauli X术语的总和依赖路径依赖的汉密尔顿术语，其贡献在Bebeginning和路径的末端消失了。除基态外，低谎言激发状态可以使用这种量子zeno方法获得与基态相等的精度。
We propose to use a quantum adiabatic and simulated-annealing framework to compute theground state of small molecules. The initial Hamiltonian of our algorithms is taken to be themaximum commuting Hamiltonian that consists of a maximal set of commuting terms in the fullHamiltonian of molecules in the Pauli basis. We consider two variants. In the first method, weperform the adiabatic evolution on the obtained time- or path-dependent Hamiltonian with theinitial state as the ground state of the maximum commuting Hamiltonian. However, this methoddoes suffer from the usual problems of adiabatic quantum computation due to degeneracy andenergy-level crossings along the Hamiltonian path. This problem is mitigated by a Zeno method,i.e., via a series of eigenstate projections used in the quantum simulated annealing, with the path-dependent Hamiltonian augmented by a sum of Pauli X terms, whose contribution vanishes at thebeginning and the end of the path. In addition to the ground state, the low lying excited states canbe obtained using this quantum Zeno approach with equal accuracy to that of the ground state.
