We present a combination of the bi-orthogonal orbital optimisation framework with the recently introduced xTC version of transcorrelation. This allows us to implement non-iterative perturbation based methods on top of the transcorrelated Hamiltonian. Besides, the orbital optimisation influences results of other truncated methods, such as the distinguishable cluster with singles and doubles. The accuracy of these methods in comparison to standard xTC methods is demonstrated, and the advantages and disadvantages of the orbital optimisation are discussed.

中文翻译：

---

xTC 互相关方法中的轨道优化

我们提出了双正交轨道优化框架与最近推出的 xTC 版本互相关的组合。这使我们能够在互相关哈密顿量之上实现基于非迭代扰动的方法。此外，轨道优化也会影响其他截断方法的结果，例如具有单打和双打的可区分簇。与标准 xTC 方法相比，这些方法的准确性得到了证明，并讨论了轨道优化的优点和缺点。