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WIREs Comput Mol Sci
Impact Factor: 16.778

Multi‐coefficients correlation methods

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Abstract 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. This article is categorized under: Electronic Structure Theory > Ab Initio Electronic Structure Methods Electronic Structure Theory > Density Functional Theory Software > Quantum Chemistry

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Software > Quantum Chemistry
Electronic Structure Theory > Density Functional Theory
Electronic Structure Theory > Ab Initio Electronic Structure Methods

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