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arXiv 2201.10974quant-phcond-mat.str-el
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量子多体系统的纯系综激发:基于幺正耦合算符的方法

Excitations of Quantum Many-Body Systems via Purified Ensembles: A Unitary-Coupled-Cluster-based Approach

Carlos L. Benavides-Riveros, Lipeng Chen, Christian Schilling, Sebastián Mantilla, Stefano Pittalis

摘要:

基于混合态的状态平均计算越来越多地被利用在化学和物理学中,作为解决量子多体系统激发的通用程序。如果不需要处理太多的状态,对单个状态执行计算也是一种常见的选择。在这里,我们将展示如何将这两种方法合并为一种方法,处理广义而单一的纯态。电子结构计算的影响进行了讨论,并指出量子计算。

英文摘要:

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.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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