论文标题
许多粒子波函数的确切两体扩展
Exact Two-body Expansion of the Many-particle Wave Function
论文作者
论文摘要
波函数的指数复杂性阻碍了朝着强相关的电子问题解决方案的进展。先前的工作为地面波函数建立了确切的两体指数产品扩展。通过开发降低的达尔加诺律师扰动理论的密度矩阵类似物，我们在这里证明（i）（i）两体指数的乘积扩展在每个操作员上迅速且全球收敛，代表重新施法的扰动理论的顺序，（II）扩展的能量在解决方案附近激发了Qudy Quptration inty and the Offeraction and Is Is Is IS IS IS IS IS（III和（III）。两体膨胀提供了许多粒子波函数的参数化以及两粒子还原的密度矩阵，并在常规计算机和量子计算机上都具有潜在应用，以研究密切相关的量子系统。我们用分子链H $ _ {4} $和H $ _ {5} $的合同schrödinger方程的精确解决方案证明了结果。
Progress toward the solution of the strongly correlated electron problem has been stymied by the exponential complexity of the wave function. Previous work established an exact two-body exponential product expansion for the ground-state wave function. By developing a reduced density matrix analogue of Dalgarno-Lewis perturbation theory, we prove here that (i) the two-body exponential product expansion is rapidly and globally convergent with each operator representing an order of a renormalized perturbation theory, (ii) the energy of the expansion converges quadratically near the solution, and (iii) the expansion is exact for both ground and excited states. The two-body expansion offers a reduced parametrization of the many-particle wave function as well as the two-particle reduced density matrix with potential applications on both conventional and quantum computers for the study of strongly correlated quantum systems. We demonstrate the result with the exact solution of the contracted Schrödinger equation for the molecular chains H$_{4}$ and H$_{5}$.
