Pingyu Zhu, Chao Wu, Yang Wang, Jiacheng Liu, Gongyu Xia, Yan Wang, Qilin Zheng, Miaomiao Yu, Chang Zhao, Yuxing Du, Kaikai Zhang, Kun Wang, Ping Xu
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引用次数: 0
Abstract
Quantum computers promise to provide groundbreaking speed in solving complex problems. However, in the present-day noisy intermediate-scale quantum era, algorithms that require fewer resources are highly desired. In this work, we develop a new method called the variational rodeo eigensolver (VRE) for efficiently searching eigenstates and estimating eigenvalues with shallow circuits. We experimentally demonstrate this method on a programmable photonic chip with a single-qubit exciton transfer Hamiltonian whose eigenstates are searched with fidelities of more than 99% and their eigenvalues are estimated, reaching chemical accuracy. Furthermore, we experimentally estimate the ground energies of the simplified Hamiltonian of the hydrogen molecule with different atomic separations. To verify the scalability of VRE, we numerically search eigenstates of a tapered two-qubit Hamiltonian of hydrogen-helium ion. Our work provides a systematic and promising approach for the efficient estimation of Hamiltonian spectra.
期刊介绍:
The Journal of Chemical Theory and Computation invites new and original contributions with the understanding that, if accepted, they will not be published elsewhere. Papers reporting new theories, methodology, and/or important applications in quantum electronic structure, molecular dynamics, and statistical mechanics are appropriate for submission to this Journal. Specific topics include advances in or applications of ab initio quantum mechanics, density functional theory, design and properties of new materials, surface science, Monte Carlo simulations, solvation models, QM/MM calculations, biomolecular structure prediction, and molecular dynamics in the broadest sense including gas-phase dynamics, ab initio dynamics, biomolecular dynamics, and protein folding. The Journal does not consider papers that are straightforward applications of known methods including DFT and molecular dynamics. The Journal favors submissions that include advances in theory or methodology with applications to compelling problems.