Multi‐coefficients correlation methods,Wiley Interdisciplinary Reviews: Computational Molecular Science

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Multi‐coefficients correlation methods
Wiley Interdisciplinary Reviews: Computational Molecular Science ( IF 16.8 ) Pub Date : 2020-03-24 , DOI: 10.1002/wcms.1474
Wenna Zhang ₁ , Xirui Kong ₁ , Sheng Liu ₁ , Yan Zhao _{1,

2}

Affiliation

A composite quantum chemical method is an approximated computational protocol designed to obtain highly accurate energies for different types of interactions. In this review, we summarize the recent advance in the evolution, assessments, and applications of the multi‐coefficients correlation methods (MCCMs) and doubly hybrid MCCMs, especially the recent Wuhan‐Minnesota‐Scaling method, for accurate calculations of Born–Oppenheimer energies of molecular systems. The review gives an overview of the methods along with their performance on the W4‐17 database.

中文翻译：

多系数相关方法

复合量子化学方法是一种近似的计算协议，旨在为不同类型的相互作用获得高度准确的能量。在这篇综述中，我们总结了用于精确计算Born–Oppenheimer能量的多系数相关方法（MCCM）和双重混合MCCM（尤其是最近的武汉—明尼苏达州—缩放方法）的发展，评估和应用的最新进展。分子系统。审查概述了这些方法及其在W4-17数据库中的性能。

更新日期：2020-03-24

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