Tiled unitary product states for strongly correlated Hamiltonians.

IF 3.3 3区 化学 Q2 CHEMISTRY, PHYSICAL Faraday Discussions Pub Date : 2024-07-25 DOI:10.1039/d4fd00064a
Hugh G A Burton
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Abstract

Approximating the electronic wave function for strongly correlated systems remains a major theoretical challenge. Emerging quantum computers can enable new types of wave-function ansatz to be considered, with the potential to overcome the exponential memory storage for strong correlation. I have recently introduced the tiled Unitary Product States (tUPS) ansatz, which successfully combines the preservation of particle-number and spin symmetry with shallow quantum circuits and local qubit connectivity [H. G. A. Burton, Phys. Rev. Res., 2024, 6, 023300]. In this contribution, I investigate the accuracy of this tUPS hierarchy for strongly-correlated Hamiltonians. I consider the picket-fence pairing Hamiltonian and the two-dimensional Hubbard lattice, which collectively describe a range of strong correlation mechanisms found in molecules. Numerical results demonstrate that highly accurate energies can be achieved with a compact approximation for both weak and strong correlation in the Hubbard model, and the repulsive pairing regime. These data provide valuable insights into the applicability of the tUPS hierarchy for strong electron correlation.

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强相关哈密顿的平铺单元乘积态
逼近强相关系统的电子波函数仍然是一项重大理论挑战。新兴的量子计算机可以考虑新型的波函数解析,并有可能克服强相关性的指数级内存存储。我最近介绍了平铺单元积状态(tUPS)解析,它成功地将粒子数和自旋对称性的保留与浅量子电路和局部量子比特连通性结合起来[H. G. A. Burton, Phys. Rev. Res., 2024, 6, 023300]。在这篇论文中,我研究了强相关哈密顿的 tUPS 层次结构的准确性。我考虑了篱笆配对哈密顿和二维哈伯德晶格,它们共同描述了分子中发现的一系列强相关机制。数值结果表明,对于哈伯德模型中的弱相关和强相关,以及排斥配对机制,都可以通过紧凑近似获得高精度能量。这些数据为 tUPS 层次结构在强电子相关性方面的适用性提供了宝贵的见解。
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Faraday Discussions
Faraday Discussions 化学-物理化学
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期刊介绍: Discussion summary and research papers from discussion meetings that focus on rapidly developing areas of physical chemistry and its interfaces
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