论文标题
通过纯化的合奏对量子多体系统的激发：一种基于统一的基于群集的方法
Excitations of Quantum Many-Body Systems via Purified Ensembles: A Unitary-Coupled-Cluster-based Approach
论文作者
论文摘要
基于状态混合的国家平均计算越来越多地在化学和物理学中被利用，作为解决量子多体系统激发的多功能程序。如果需要解决的状态不多，则在各个状态上执行的计算也是一个共同的选择。在这里，我们展示了如何将两种方法合并为一种方法，并处理了一个广义而单一的纯状态。讨论了电子结构计算的含义，并指出了量子计算。
State-average calculations based on mixture of states are increasingly being exploited across chemistry and physics as versatile procedures for addressing excitations of quantum many-body systems. If not too many states should need to be addressed, calculations performed on individual states is also a common option. Here we show how the two approaches can be merged into one method, dealing with a generalized yet single pure state. Implications in electronic structure calculations are discussed and for quantum computations are pointed out.
