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Variational quantum packaged deflation for arbitrary excited states

机译：变分量子打包通货紧缩任意的激发态

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摘要

Determining the spectral structure of molecular Hamiltonians is one of the most important and challenging research fields in quantum chemistry. In the near future, such a problem may be solvable by means of quantum simulation. However, constrained by a handful of qubits and noisy quantum gates available in the near-term quantum devices, hybrid quantum-classical algorithms based on variational methods such as variational quantum eigensolver have become a preferable choice. Here we propose an interesting variational quantum algorithm for obtaining the excited states of many-body Hamiltonians. To obtain the kth excited states, the previous variational quantum deflation algorithm requires the use of k different variational circuits, which is now reduced to only two circuits with our algorithm. The feasibility of the algorithm was numerically tested on the hydrogen molecule with and without random noise, where the chemical accuracy is reached for both cases. This algorithm is expected to significantly reduce the resource requirements of quantum simulation.
机译：确定分子的光谱结构汉密尔顿是最重要的一个具有挑战性的研究领域在量子化学。在不久的将来,这样的问题可以通过量子模拟。受到量子比特和吵了在近期量子量子门可用设备,混合quantum-classical算法基于变分方法如变分量子eigensolver已成为一个更可取的选择。变分量子算法获得多体的汉密尔顿的激发态。获得k激发态,前面的变分算法需要量子的通货紧缩k的使用不同的变分电路,现在减少到只有两个电路我们的算法。数值测试是氢分子有和没有随机噪声,化学这两种情况下的精度达到。算法将显著降低资源需求的量子模拟。

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