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Quantum Algorithmic Approach to Multiconfigurational Valence Bond Theory: Insights from Interpretable Circuit Design
Journal of Chemical Theory and Computation ( IF 5.5 ) Pub Date : 2024-04-16 , DOI: 10.1021/acs.jctc.3c00565
Jakob S. Kottmann 1 , Francesco Scala 2
Affiliation  

Efficient ways to prepare Fermionic ground states on quantum computers are in high demand, and different techniques have been developed over the past few years. Despite having a vast set of methods, it is still unclear which method performs well for which system. In this work, we combine interpretable circuit designs with an effective basis approach in order to optimize a multiconfigurational valence bond wave function. Based on selected model systems, we show how this leads to an explainable performance. We demonstrate that the developed methodology outperforms related methods in terms of the size of the effective basis, as well as individual quantum resources for the involved circuits.

中文翻译:

多构型价键理论的量子算法方法:来自可解释电路设计的见解

人们对在量子计算机上制备费米子基态的有效方法有很高的需求,并且在过去几年中已经开发了不同的技术。尽管有大量的方法,但仍不清楚哪种方法对于哪种系统表现良好。在这项工作中,我们将可解释的电路设计与有效的基础方法相结合,以优化多构型价键波函数。基于选定的模型系统,我们展示了这如何导致可解释的性能。我们证明,所开发的方法在有效基础的大小以及所涉及电路的单独量子资源方面优于相关方法。
更新日期:2024-04-17
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