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arXiv 2102.05102quant-phhep-th
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分子量子计算机上的Morse势与超对称量子力学

Morse Potential on a Quantum Computer for Molecules and Supersymmetric Quantum Mechanics

Josh Apanavicius, Yuan Feng, Yasmin Flores, Mohammad Hassan, Michael McGuigan

摘要:

本文讨论量子计算机上的Morse势。Morse势用于描述双原子分子,并且具有有限数量的束缚态,可以通过光谱测量。它也是一个使用超对称量子力学的精确可解势的例子。利用超对称量子力学方法,可以导出一个哈密顿量的层次,使得层次上下一级的基态产生其下一级的哈密顿量的第一个激发态,利用这种方法,可以通过计算层次中哈密顿量序列的所有基态来确定Morse势的所有态。我们使用IBM QISKit软件和变分量子本征解算器(VQE)算法计算了Morse势的基态和第一激发态能量,发现与Morse势束缚态能量的精确表达式一致。我们分析了不同的优化器,研究计算的数值效果。最后,我们进行量子计算的双原子和三原子分子,以说明这些技术的应用在近期量子计算机,并找到良好的协议与实验数据。

英文摘要:

In this paper we discuss the Morse potential on a quantum computer. The Morse potential is useful to describe diatomic molecules and has a finite number of bound states which can be measured through spectroscopy. It is also a example of an exactly soluble potential using supersymmetric quantum mechanics. Using the the supersymmetric quantum mechanics formalism one can derive a heirachy of Hamiltonians such that the ground state of the next rung on the heirarchy yeids the first excited state of the hamiltonian below it. Using this method one can determine all the states of the Morse potential by calculating all the ground states of the sequence of Hamiltonians in the heirarchy. We use the IBM QISKit software together with the Variational Quantum Eiegensolver (VQE) algorithm to calculate the ground state and first excited state energy of the Morse potential and find agreement with the exact expression for the bound state energies of the Morse Potential. We analyze different optimizers to study the numerical effect on the calculations. Finally we perform quantum computations for diatomic and triatomic molecules to illustrate the application of these techniques on near term quantum computers and find excellent agreement with experimental data.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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