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Perspective: Multireference coupled cluster theories of dynamical electron correlation
The Journal of Chemical Physics ( IF 4.4 ) Pub Date : 2018-07-17 , DOI: 10.1063/1.5039496
Francesco A. Evangelista 1
Affiliation  

Predicting the electronic structure and properties of molecular systems that display strong electron correlation effects continues to remain a fundamental theoretical challenge. This perspective discusses the recent progress and current challenges in multireference wave function methods for dynamical electron correlation, focusing on systematically improvable methods that go beyond the limitations of configuration interaction and perturbation theory.

中文翻译:

观点:动态电子相关的多参考耦合簇理论

预测显示出强电子相关效应的分子系统的电子结构和性质仍然是一个基本的理论挑战。该观点讨论了用于动态电子相关的多参考波函数方法的最新进展和当前挑战,着重于系统可改进的方法,这些方法超越了组态相互作用和微扰理论的局限。
更新日期:2018-07-21
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