Warren Samuel, Wang Yuchen, Benavides-Riveros Carlos L, Mazziotti David A
Department of Chemistry and The James Franck Institute, <a href="https://ror.org/024mw5h28">The University of Chicago</a>, Chicago, Illinois 60637, USA.
Pitaevskii BEC Center, CNR-INO and Dipartimento di Fisica, <a href="https://ror.org/05trd4x28">Università di Trento</a>, I-38123 Trento, Italy.
Phys Rev Lett. 2024 Aug 23;133(8):080202. doi: 10.1103/PhysRevLett.133.080202.
We present an exact Ansatz for the eigenstate problem of mixed fermion-boson systems that can be implemented on quantum devices. Based on a generalization of the electronic contracted Schrödinger equation (CSE), our approach guides a trial wave function to the ground state of any arbitrary mixed Hamiltonian by directly measuring residuals of the mixed CSE on a quantum device. Unlike density functional and coupled cluster theories applied to electron-phonon or electron-photon systems, the accuracy of our approach is not limited by the unknown exchange-correlation functional or the uncontrolled form of the exponential Ansatz. To test the performance of the method, we study the Tavis-Cummings model, commonly used in polaritonic quantum chemistry. Our results demonstrate that the CSE is a powerful tool in the development of quantum algorithms for solving general fermion-boson many-body problems.
我们提出了一种可在量子设备上实现的混合费米子 - 玻色子系统本征态问题的精确近似方法。基于电子收缩薛定谔方程（CSE）的推广，我们的方法通过在量子设备上直接测量混合CSE的残差，将试探波函数引导至任意混合哈密顿量的基态。与应用于电子 - 声子或电子 - 光子系统的密度泛函理论和耦合簇理论不同，我们方法的精度不受未知交换关联泛函或指数近似的不受控形式的限制。为了测试该方法的性能，我们研究了极化子量子化学中常用的塔维斯 - 卡明斯模型。我们的结果表明，CSE是开发用于解决一般费米子 - 玻色子多体问题的量子算法的有力工具。
