基于互相关和耦合簇理论的周期系统的高效精确\emph{ab initio}解
Towards efficient and accurate \emph{ab initio} solutions to periodic systems via transcorrelation and coupled cluster theory
摘要：
本文提出了一种将互相关（TC）和耦合团簇（CC）理论相结合的简化方法，不仅提高了基组的收敛速度，而且将最低阶CC近似的适用范围扩展到三维均匀电子气（3D UEG）的强关联区域.通过将正确的物理见解内置到TC中使用的相关器中，可以获得具有误差$\leq 0.001 $ a.u./电子相对于最先进的量子蒙特卡罗结果可以在很宽的密度范围内获得。我们的方法大大提高了效率和准确性，为许多其他方法失败的强相关固体提供了巨大的希望。
英文摘要：
We propose a streamlined combination scheme of the transcorrelation (TC) and coupled cluster (CC) theory, which not only increases the convergence rate with respect to the basis set, but also extends the applicability of the lowest order CC approximations to strongly correlated regimes in the three dimensional uniform electron gas (3D UEG). With the correct physical insights built into the correlator used in TC, highly accurate ground state energies with errors $\leq 0.001 $ a.u./electron relative to the state-of-the-art quantum Monte Carlo results can be obtained across a wide range of densities. The greatly improved efficiency and accuracy of our methods hold great promise for strongly correlated solids where many other methods fail.
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